Our Publications
139. Non-covalent Interactions in Biocatalysis - A Theoretical Perspective. (BOOK CHAPTER)
G. Velmurugan, R. Vijay Solomon, D. Senthilnathan and P. Venuvanalingam (2019).
n Kamran T. Mahmudov, Maximilian N. Kopylovich, M. Fátima C. Guedes da Silva and Armando J. L. Pombeiro (Eds),
Non-covalent Interactions in Catalysis (Chapter 28), London, U.K.: Royal Society of Chemistry
138. Half-sandwich Ru(η6-p-cymene) Complexes Featuring Pyrazole Appended Ligands: Synthesis, DNA Binding and In Vitro Cytotoxicity Activity
Y. C.Huang, J. Haribabu, C. Chien, G. Sabapathi, Chon Kit Chou, R. Karvembu, P. Venuvanalingam,W. Ching, Ming-Li Tsai, and Sodio C. N. Hsu.
J. Inorg. Biochem.,2018.( Under revision)
137. Biomolecular Interaction, Anti-Cancer And Anti-Cancer And Anti-Angiogenic Properties of Cobalt(III) Schiff Base Complexes.
S.Ambika, Y. Manojkumar, S. Arunachalam, G.Balakrishnan, K. K. Meenakshi, R. Vijay Soloman, P. Venuvanlingam, M. A. Akbarsha,and M. Sundaraman
Sci.Rep. 2018. (Under revision)
136. Evaluation of the Leaves Essential Oil from Artemisia vulgaris L. and their Larvicidal and Repellent Activity Against Dengue Fever Vector Aedes aegypti L. - An Experimental and Molecular Docking Investigation
S. Balasubramani, G. Sabapathi, A. Moola, R. Vijay Solomon, P. Venuvanalingam, and B. D. Ranjitha Kumari
ACS omega, 2018, 3, 15657. [Full Text]
135. Water-soluble Cobalt(II) & Cobalt(III) complexes supported by new triazine Schiff base ligands: Synthesis, structure and biological evaluation
S. Parveena, G. Velmurugan, Ekkehard Sinn, P. Venuvanalingam and S. Govindarajan
J. Photochem. Photobiol. B, Biol.,2018,189,152. [Full Text]
134. Structure and Reactivity of Pd Complexes in Various Oxidation States in Identical Ligand Environments with Reference to C-C and C-Cl Coupling Reactions: Insights from DFT.
R. Jagadeesan, S. Gopal, M. Jaccob and P. Venuvanalingam.
Inorg. Chem., 2018, 57, 6833. [Full Text]
133. Water Soluble Mono- and Binuclear Ru(η6-p-Cymene) Complexes Containing Indole Thiosemicarbazones: Synthesis, DFT Modeling, Biomolecular Interactions and In Vitro Anticancer Activity Through Apoptosis
H. Jebiti, G.Sabapathi, M. Muthu Tamizh, B. Chandrasekar, B. Nattamai, P. Venuvanalingam and R. Karvembu
Organometallics, 2018, 37, 1242. [Full Text]
132. Are cucurbiturils better drug carriers for bent metallocenes? Insights from theory
D. Senthilnathan, R. Vijay Solomon, S. Kiruthika, P. Venuvanalingam and M. Sundararajan
J. Biol. Inorg. Chem., 2018, 23, 413. [Full Text]
131. A Multispectroscopic and Molecular Docking Investigation of the Binding Interaction between Serum Albumins and Acid Orange Dye
S. Naveenraj, R. Vijay Solomon, R. Viswanathan Mangalaraj, P. Venuvanalingam, A.M. Asiri and S. Anandan
Spectrochim. Acta A Mol. Biomol. Spectrosc., 2018, 192, 34. [Full Text]
130. A Spectroscopic Approach with Theoretical Studies to Study the Interaction of 9-aminoacridine with Certain Phenols
C.Manivannana, R Vijay Solomon, P. Venuvanalingam and R. Renganathan
Z. Phys. Chem., 2017, 231(5), 939. [Full Text]
129. Encapsulation of Hexaaza Macrocyclic Nickel(II) Complex in zeolite Y: An Experimental and Theoretical investigations
S. Chandra Mohan, R.V. Solomon, P. Venuvanalingam and K. Jothivenkatachalam
New J. Chem., 2017, 41, 9505. [Full Text]
128. Hydrogenolysis of sorbitol over Ni, Pt and Ru supported on SBA-15
M Banua, T M Sankaranarayanana, P Venuvanalingam, G Magesha and S Sivasankera
Indian Journal of Chemistry 2017, 56A, 226. [Full Text]
127. Surfactant–cobalt(III) complexes:The impact of hydrophobicity oninteraction with HSA and DNA – insights from experimental and theoretical approach
S. Veeralakshmi, G. Sabapathi, S. Nehru, P. Venuvanalingam and S.Arunachalama.∗
Colloids and Surfaces B: Biointerfaces, 2017, 153, 85. [Full Text]
126. Green light-emitting 2-(1H-indol-3-yl)acetonitrile-based D–A fluorophores – a combined theoretical and experimental study
S. Muruganantham, N. Nagarajan, G. Velmurugan, A. Prakash, M. Katiyar, P.Venuvanalingam and R. Renganathan
Mater. Chem. Front. 2017, 1, 1373. [Full Text]
125. Structural Elucidation and Physicochemical Properties of Mononuclear Uranyl(VI) Complexes Incorporating Dianionic units
M. Azam1, G.Velmurugan, S. M. Wabaidur, A.Trzesowska-Kruszynska, R. Kruszynski, S. I. Al-Resayes, Z. A. Al-Othman and P. Venuvanalingam.
Sci.Rep. 2016, 6, 32898.[Full Text]
124. Noncovalent Interactions between the Second Coordination Sphere and the Active Site of [NiFeSe] Hydrogenase.
S. Angeline Vedha, G. Velmurugan and P. Venuvanalingam*
RSC Adv., 2016, 6, 81636.[Full Text]
123. Rational Design of Cyclopenta[β]naphthalenes for Better Optoelectronic and Photophysical Properties Using DFT/TDDFT Methods
R. Jagadeesan, G. Velmurugan and P. Venuvanalingam
RSC Adv., 2016, 6, 44569.[Full Text]
122. The nature of Pd–carbene and Pd–halogen bonds in (bisNHC)PdX2 type catalysts: insights from density functional theory
R. Jagadeesan, G. Velmurugan and P. Venuvanalingam
RSC Adv., 2015, 5, 80661.[Full Text]
121. Elucidating the structures and cooperative a binding mechanism of cesium salts to multitopic Ion-Oair receptor through density functional theory calculations.
B. Sadhu, S. Mahesh, G. Velmurugan and P.Venuvanalingam
Dalton Trans.,2015, 6, 32898. [Full Text]
120. Insights from the Computational Studies on the Oxidized as Isolated State of [NiFeSe] Hydrogenase from
D. vulgaris Hildenborough
S. Angeline Vedha, G. Velmurugan, G. Jagadeesan, and P. Venuvanalingam
Phys. Chem. Chem. Phys., 2015, 17,20677. [Full Text]
119. A DFT/TDDFT mission to probe push-pull vinyl coupled thiophene oligomers for optoelectronic applications
D.Gajalakshmi, R. Vijay Solomon, V. Tamilmani, M. Boobaland, and P. Venuvanalingam
RSC Adv., 2015, 5, 50353. [Full Text]
118. Single and double chain surfactant-cobalt(III) complexes: the impact of hydrophobicity on the interaction with calfthymus DNA nad their biological activities.
S. Veeralakshmi, S. Nehru, G. Sabapathi, S. Arunachalam, P. Venuvanalingam, P. Kumar, C. Anushad and V. Ravikumard
RSC Adv., 2015, 5, 31746. [Full Text]
117. Synthesis, DNA binding and docking studies of copper(II) Complexes containing modified phenanthroline ligands.
Jagadeesan Lakshmipraba, Sankaralingam Arunachalam, R Vijay solomon and P Venuvanalingam
J. Coord. Chem., 2015, 68, 1374. [Full Text]
116. Luminescent Re(I) Terpyridine Complexes for OLEDs: What does DFT/TD-DFT Probe Reveal?
G. Velmurugan and P. Venuvanalingam
Dalton Trans., 2015, 44, 8529. [Full Text]
115. Novel Uranyl(VI) Complex incorporating propylene-bridged salen-type N2O2-Ligand: A Structural and Computational Approach
M. Azam, Saud. I. Al-Resayes, G. Velmurugan and P. Venuvanalingam,
Dalton Trans. 2015, 44, 568. [Full Text]
114. Surfactant–copper(II) Schiff base complexes: synthesis, structural investigation, DNA interaction, docking studies, and cytotoxic activity.
J. Lakshmipraba, S. Arunachalam, R. Vijay Solomon, P. Venuvanalingam, A. Riyasdeen, R. Dhivya and M. A. Akbarsha
J. Biomol. Struct. Dyn. 2015,33,877. [Full Text]
113. Influence of self-assemble on intercalative DNA binding interaction of double-chain surfactant Co(III) complexes containing imidazo[4,5-f][1.10]phenanthroline and dipyridol[3,2-d:2'2'-3'-f]quinoxaline ligands: experimental and theoretical study
K. Nagaraj, G. Velmurugan, S. Sakthinathan, P. Venuvanalingam and S. Arunachalam*
Dalton Trans. 2014, 43, 18074 [Full Text]
112. The Nature of R22(8) Motifs in Organic Crystals - a Computational Exploration
D. Deepa, R. Vijay Solomon, S. Angeline Vedha, P. Venuvanalingam and P. Kolandaivel.
J.Mol.Phys. 2014, 112, 3195 [Full Text]
111. Computational Evaluation of Optoelectronic and Photophysical Properties of Unsymmetrical Distyrylbiphenyls.
G. Velmurugan, S. Angeline Vedha and P. Venuvanalingam
RSC Adv. 2014, 4, 53060. [Full Text]
110. Are Re(I) Phenanthroline Complexes best candidates for OLED? Answers from DFT and TD-DFT Investigations.
G. Velmurugan, B. K. Ramamoorthi and P. Venuvanalingam
Phys. Chem. Chem. Phys., 2014, 16, 21157. [Full Text]
109. Unraveling the Reaction Mechanism, Enantio and Diastereoselectivities of Selenium Ylide Promoted Epoxidation.
M. Jaccoba, G. Sabapathi, J. Vijaya Sundar, P. Kolandaivel, V.Subramanian and P. Venuvanalingam
Indian. J. Chem, A. 2014, 53A, 1001. [Full Text] [Invited Article]
108. Atomic Partitioning of M-H2 Bonds in [NiFe] Hydrogenase- A Test Case of Concurrent Binding
R. Vijay Solomon, S. Angeline Vedha and P. Venuvanalingam.
Phys. Chem. Chem. Phys. 2014, 16, 10698. [Full Text]
107. Tunable single and dual emission behavior of imidazole fluorophores based on D-Л-A architecture
N. Nagarajan, G. Velmurugan, P. Venuvanalingam and R. Renganathan.
J. Photochem. Photobiol. A. 2014, 284, 36 [Full Text]
106. A new turn in Codon-Anticodon selection through halogen bonds
R. Vijay Solomon, S. Angeline Vedha and P. Venuvanalingam.
Phys. Chem. Chem. Phys. 2014, 16, 7430. [Full Text]
105. The metal delivery mechanism of trasferrin and the role of bent metallocnene metals towards anticancer activity – A theoretical exploration.
D. Senthilnathan, S. Angeline Vedha, A. Kalaiselvan and P. Venuvanalingam.
RSC Adv. 2014, 4, 9556. [Full Text]
104. Synthesis, characterisation and electroluminescence behaviour of pi-conjugated imidazole-isoquinoline derivatives
N. Nagarajan, Asit Prakash Bajpai, G. Velmurugan, Nanda Shakti, Monica katiyar, P. Venuvanalingam and R. Renganathan
Dyes and Pigments, 2014, 102, 180. [Full Text]
103. A combined experimental and theoretical studies on Synthesis, Characterization, Photophysical and electrochemical properties of imidazole-carbazole derivatives
N. Nagarajan, G. Velmurugan, N. Prabhu, P. Venuvanalingam and R. Renganathan
J. Lumin. 2014, 111, 111. [Full Text]
102. A DFT/TDDFT modeling of Bithiophene azo chromophores for optoelectronic applications
R. Vijay Solomon, R. Jagadeesan, S. Angeline Vedha and P. Venuvanalingam
Dyes and Pigments. 2014, 100, 261 [Full Text]
101. Novel Highly Emissive Luminogens Based on Imidazo[1,2-a]pyridine for Electroluminescent Applications
N. Nagarajan, G. Velmurugan, A. Prakash, N. Shakti, M. katiyar, P. Venuvanalingam and R. Renganathan
Chem. Asian J, 2014, 9, 294 [Full Text]
100. Tuning the photophysical properties of 2-quinolinone based Donor-Acceptor molecules through N vs O alkylation: Insights from experimental and theoretical investigations
G. Paramaguru, R. Vijay Solomon, S. Jagadeeswari, P. Venuvanalingam and R. Renganathan.
Eur. J. Org. Chem., 2013, 4, 753. [Full Text]
99. Effect of electron withdrawing anchoring groups on the optoelectronic properties of pyrene sensitizers and their interaction with TiO2: A combined experimental and theoretical approach
G. Paramaguru, R. Vijay Solomon, S. Jagadeeswari, P. Venuvanalingam and R. Renganathan
J. Photochem. Photobiol. A, 2013, 271, 31 [Full Text]
98. Mechanism and Diastereoselectivity of Arsenic Ylide Mediated cyclopropanation – A Theoretical Study
M. Jaccob and P. Venuvanalingam
RSC Adv. 2013, 39, 17793 [Full Text]
97. Interaction between toxic azo dye C. I. Acid Red 88 and Serum Albumins
S. Naveenraj, R. Vijay Solomon, P. Venuvanalingam, A. M. Asiri and S. Anandan
J. Luminescence, 2013, 143, 715. [Full Text]
96. Conjugated polymer based on oligobenzo[c]thiophene with low-lying HOMO energy level as potential donor for bulk heterojunction solar cells
M. Ruby Raj, S. Anandan, R. Vijay Solomon, P. Venuvanalingam, S. S. Kumar Iyer and M. Ashokkumar
J. Photochem. Photobiol. A: Chemistry, 2013, 262, 34. [Full Text]
95. On the Nature of Hypercoordination in Dihalogenated Perhalocyclohexasilanes
S. Angeline Vedha, R. Vijay Solomon, and P. Venuvanalingam
J. Phys. Chem. A. 2013, 117, 3529. [Full Text]
94.Phenylacetylene dimer: ab initio and DFT study
Maciej Kolaski; Naresh Patwari and P. Venuvanalingam
Chem. Phys., 2013, 415, 150. [Full Text]
93.Studies on the inclusion behavior of 9-Aminoacridine into cyclodextrins: Spectroscopic and theoretical evidences.
C. Manivannan, R. Vijaysolomon, P. Venuvanalingam and R. Renganathan
Spectrochimica Acta Part A 2013, 103, 18. [Full Text]
92.Sequence Selectivity of Azinomycin B in DNA Alkylation and Cross-linking: A QM/MM Study.
D. Senthinathan, A. Kalaiselvan and P. Venuvanalingam
J. Mol. Model. 2013, 19, 383. [Full Text]
91.Synthesis of Conjugated Perylene Diimide-based Copolymer with 5,5'-Bis(4-aminophenyl)-2-2'-bifuryl Moiety as an Active Material for Organic Photovoltaics
M. Ruby Raj, S. Anandan, R. Vijay Solomon, P. Venuvanalingam, S. S. Kumar Iyer and M. Ashokkumar
J. Photochem. Photobiol. A: Chemistry, 2012, 247, 52. [Full Text]
90.Sorbitol Hydrogenolysis Over Ni, Pt and Ru Supported on NaY
M. Banu, P. Venuvanalingam, R. Shanmugam, B. Viswanathan and S. Sivasanker
Top. Catal. 2012, 55, 897. [Full Text]
89.Designing benzosiloles for better optoelectronic properties using DFT & TDDFTappraches
R. Vijay Solomon, A. Bella, S. Angeline Vedha and P. Venuvanalingam
Phys. Chem. Chem. Phys., 2012, 14, 14229 [Full Text]
88. Tuning Non lineroptical and Optoelectronic Properties of Vinyl Coupled Triazene Chromophores – A Density Functional Theory and Time Dependent Density Functional Theory Investigation
R. Vijay Solomon, P. Veerapandian, S. Angeline Vedha and P. Venuvanalingam
J. Phys. Chem. A 2012, 116, 4667. [Full Text]
87. Bifunctional reactivity and catalytic activity of imidozirconocene complex: evidences from DFT study on its reaction with epoxides.
D. Senthilnathan, R. Vijay Solomon, and P. Venuvanalingam.
J. Chem. Sci., 2012, 124,167 [Full Text]
86. Enhanced Photocatalytic Degradation of Azo Dyes using Nano Fe3O4.
R. Vijay Solomon, I. Sharmila Lydia, J. Princy Merlin and P. Venuvanalingam.
J. Iran. Chem. Soc., 2012, 9, 101 [Full Text]
85. A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes
M. Jaccob, P. Comba, M. Maurer, V. Praba, and P Venuvanalingam.
Dalton Trans., 2011, 40, 11276 [Full Text]
84. Elucidating the structures and binding of halide ions bound to cucurbit[6]urils, hemi-cucurbit[6]urils and bambus[6]urils using Density Functional Theory Calculations
S. Mahesh, R. Vijay Solomon, S. K. Ghosh, and P. Venuvanalingam.
RSC Adv., 2011, 1, 1333 [Full Text]
83. An Investigation on the interaction between anticancer herbal drug and bovine serum albumin:Approach from spectroscopic and docking studies.
M. Asha Jhonsi, S. Selvaraj, G. Paramaguru, A. Kathiravan, P.Venuvanalingam and R.Renganathan.
Z. Phys. Chem. 2011, 225,441
82. Imidozirconocene-Mediated Ring Cleavage of Epoxides – Evidence for Bifunctional Reactivity from DFT
D. Senthilnathan and P. Venuvanalingam
Eur. J. Inorg. Chem. 2011,2842 [Full Text]
81. Computational Insights on the Role of Steric and Electrostatic Interactions in Arsenic Ylide Mediated Aziridination Reaction
M. Jaccob and P. Venuvanalingam
Eur. J. Org. Chem. 2011 ,3458 [Full Text]
80. Spectroscopic Studies on TiO2 Enhanced Binding of Hypocrellin B with DNA
G. Paramaguru, R. Vijay Solomon, P. Venuvanalingam and R. Renganathan
J. Fluorence 2011, 2, 1887 [Full Text]
79. Understanding the stability, electronic and molecular structure of some copper(III) complexes containing alkyl and non alkyl ligands: Insights from DFT calculations
S.Baskaran, P.Venuvanalingam and C.Sivasankar
J. Organometallic Chem., 2011, 696,2627 [Full Text]
78. Hydrogenolysis of sorbitol over Ni and Pt loaded on NaY.
M. Banu, S. Sivasanker, T.M. Sankaranarayanan and P. Venuvanalingam.
Cat. Comm., 2011,12, 673. [Full Text]
77. Biocatalysis of azidolysis of epoxides:Computational evidences on the role of Halohydrin dehalogenase (HheC).
D. Senthilnathan, V. Tamilmani, and P. Venuvanalingam
J. Chem. Sci.,2011, 123, 279. [Full Text]
76. Half-rotations Leading to Retention of Stereochemistry in Epoxide Ring Opening by Selenocycnate Ion:Insights from DFT Modeling.
A.Kalaiselvan, K.Muthukumar D.Senthilnathan, Pascale Maldivi and P.Venuvanalingam.
Int. J. Quant. Chem. 2011,111,2323. [Full Text]
75. Antitumor activity of Bent metallocenes : Electronic structure analysis using DFT computations.
D. Senthilnathan, S. Vaideeswaran, G. Frenking and P.Venuvanalingam.
J. Mol. Model. 2011,17,465 [Full Text]
74. Application of Activation Hardness in Perturbed Pericyclic Reactions: A Case Study Involving Electrocyclization of Heterocyclobutadienes.
M. Jaccob, I. Sheeba Jem, Santanab Giri , P.K.Chattaraj and P. Venuvanalingam.
J.Phys Org Chem. 2010, 23, 1 [Full Text]
73. On the Measures of Aromaticity.
G.N.Sastry, P.Venuvanalingam and P.Kolandaivel.
Chapter 2 , Aromaticity and Metal Clusters, Ed.Pratim K.Chattaraj, Taylor and Francis, Newyork, 2010, p31-55.
72. Interaction of anthraquinone dyes with lysozyme: Evidences from spectroscopic and docking studies.
G. Paramaguru, A. Kathiravan, S.Selvaraj, P.Venuvanalingam and R. Renganathan.
J. Hazard. Matter. 2010, 175, 985. [Full Text]
71. Singlet Methylene Insertion into Polar O-H and N-H Bonds of Water and Ammonia - Ab Initio and DFT Study.
K.Ramasami, M.Ramalingam M.Jaccob and P.Venuvanalingam.
Int. J. Quant. Chem. 2009 , 110, 1310. [Full Text]
70. Singlet Methylene and Halocarbenes Insertions into Polar N-H Bonds of Amines.
K.Ramasami, M.Ramalingam and P.Venuvanalingam.
J. Theor. Comput. Chem. 2009, 8, 1143. [Full Text]
69. Fluorine effect on Pericyclic and Pseudopericyclic Processes: Evidences from Ab Initio Theory.
Lakshminarayanan Akilandeswari, Madhavan Jaccob and Ponnambalam Venuvanalingam.
J. Chem. Sci. 2009, 121, 1. [Full Text]
68. “Quantum Chemistry of Chemical Bonding and Interactions”.
Chapter 3 , Theory of Chemical Reactivity, Ed.Pratim K.Chattaraj, Taylor and Francis, Newyork, 2008 p 23-38.
67. Investigations on the fluorescenece quenching of 2,3-diazobicyclo[2.2.2]oct-2- ene by certain flavonoids.
V. Anbazhagan, A. Kalaiselvan, M. Jaccob, P. Venuvanalingam and R. Renganathan.
J. Photochem. and Photobiol. B:Biology. 2008, 91, 143. [Full Text]
66. Harmonic analysis of vibrations of morpholine-4-ylmethylthiourea: A DFT, Midinfrared and Raman Spectral Study.
M. Ramalingam, M. Jaccob, J. Swaminathan, P. Venuvanalingam and N. Sundaraganesan.
Spectrochim. Acta. Part A. 2008, 71, 996. [Full Text]
65. Regio and stereoselectivity of ionic cycloadditions.
V. Tamilmani, D. Senthilnathan and P. Vennuvanalingam.
J. Chem. Sci. 2008, 120, 225. [Full Text]
64. Is corannulene a better diene or dienophile? A DFT analysis.
J. Prabaha, S. Mahesh, G. Rajaraman, P. Venuvanalingam, K. Rashmi and S. R. Gadre.
J. Phys. Org. Chem. 2007, 21, 146. [Full Text]
63. Insertion of singlet cholrocarbenes across C-H bonds in alkanes: Evidence for two phase mechanism.
M. Ramalingam, K. Ramasami, and P. Venuvanalingam.
J. Chem. Sci. 2007, 119, 467. [Full Text]
62. Computational insights on lone pair induced modulation during the thermal rearrangement of 6-halopyrone.
L. Akilandeswari, and P.Venuvanalingam.
J. Theor. Comp. Chem. 2007, 6, 233. [Full Text]
61. Ring opening of Boriranes vis-à-vis Aziridines: An ab initio and DFT Probe on the Mechanisms.
A. Kalaiselven, and P.Venuvanalingam.
Int. J. Quantum Chem. 2007, 107, 1590. [Full Text]
60. C-H Functionalisation through singlet chlorocarbenes insertions – MP2 and DFT Investigations.
M. Ramalingam, K. Ramasami, P. Venuvanalingam and V. Sethuraman.
ICCS 2006, Part III, LNCS 3993, 2006, 143. [Full Text]
59. Transition states and charge analyses along the IRC for the singlet chlorocarbenes insertions into C-H bond alkanes.
M.Ramalingam, K.Ramasami and P.Venuvanalingam.
Chem.Phys.Lett. 2006, 430, 414-419. [Full Text]
58. Ab Initio and DFT investigations on the stereochemistry of ring opening of Episulfide.
A.Kalaiselvan and P.Venuvanalingam.
J. Mol. Struct.(Theochem). 2006,763, 1 [Full Text]
57. Electrostatic Control on Endo/Exo Selectivity in Polar Cycloadditions.
V.Tamilmani, C.A Daul and P.Venuvanalingam.
Chem.Phys.Lett. 2005, 416, 354-357. [Full Text]
56. An ab initio and DFT study on the hydrolysis of carbonyl dichloride
S. Mahesh, G. Rajaraman, J. Prabha,V. Tamilmani and P. Venuvanalingam.
J. Mol. Struct.(Theochem). 2005, 730, 155. [Full Text]
55. Open Vs Closed 1,3-Dipolar additions of C60: A Theoretical Investigation on their mechanism and Regioselectivity.
K. Kavitha and P. Venuvanalingam.
J. Org. Chem. 2005, 70 , 5426. [Full Text]
54. Ab initio Computational Modeling of glyphosate analogs: Conformational perspective.
M. Mohammed Naseer Ali, P. Kaliannan and P. Venuvanalingam.
Struct. Chem. 2005 , 16, 491-506. [Full Text]
53. Ring Cleavage of Aziridines by Difluoroamine: Mechanistic Insight from Ab-Initio and DFT study.
A. Kalaiselvan, S. Salai Cheettu Ammal, P. Venuvanalingam, and Hiroshi Yamataka.
J. Phys. Chem. A. 2005, 109, 4829. [Full Text]
52. Low-Lying Stepwise Paths for Ethylene 1,3-Dipolar Cycloadditions: A DFT Study.
K. Kavitha and P. Venuvanalingam.
Int.J.Quant.Chem. 2005, 104, 64. [Full Text]
51. Oxaphosphetane Vs betaine formation in epoxide ring opening by PPh3: a mechanistic probe by ab-initio and DFT Modeling.
A. Kalaiselvan and P. Venuvanalingam.
Tetrahedron Lett. 2005, 46, 4087. [Full Text]
50. Hydrogen bond stabilization in Diels-Alder Transition states. The cycloaddition between O-hydroxy-orthoquinodimethane with Fumaric acid and Dimethyl fumarate.
V. Tamilmani, C. A. Daul, J. L. Robles, C. G. Bochet and P. Venuvanalingam.
Chem. Phys. Lett. 2005, 406, 355. [Full Text]
49. 1,3-Dipolar reactions involving Corannulene: How does its Rim and Spoke addition vary?
K. Kavitha, M. Manoharan and P. Venuvanalingam.
J. Org. Chem. 2005,70, 2528. [Full Text]
48. Ab Initio and DFT Modeling of Stereoselective Deamination of Aziridines by Nitrosyl Chloride.
A. Kalaiselvan and P. Venuvanalingam.
Int. J. Quant. Chem. 2005, 102, 136. [Full Text]
47. Conformation and function of N-hydroxy-glyphosate and N-amino- glyphosate: A Comparative study using ab initio MO theory.
M. Mohamed Naseer Ali, P. Kaliannan and P. Venuvanalingam.
J. Mol.Stru(Theochem). 2004, 714, 99. [Full Text]
46. Ab-initio and DFT studies on conformations, hydrogen bonding and electronic structures of glyoxal monooxime and its methyl derivative.
M. Ramalingam, P. Venuvanalingam, J. Swaminathan, Giuseppe Buemi.
J. Mol. Stru (Theochem). 2004, 712, 175. [Full Text]
45. Ab initio Computational Studies on Molecular Conformation of N-Methyl glyphosate.
P. Kaliannan, M. Mohamed Naseer Aliand P. Venuvanalingam.
Mol.Phys. 2003, 101, 3073. [Full Text]
44. Heteroatom Substituted Carbon Nanotubes: Can they be the Activating Centers for Hydrogen Adsorption.
M. Sankaran, A. Kalaiselvan, R. Ganesan, P. Venuvanalingam and B. Viswanathan.
Bull. Catal. Soc. India, 2002, 1167. [Full Text]
43. 1, 3- Dipolar Additions involving Allenes: A Density Functional of Study of Concerted and Stepwise Mechanism.
K. Kavitha and P. Venuvanalingam.
J.Chem.Soc. Perkin Trans. 2002, 2, 2130. [Full Text]
42. Electronic Structure and Conformation of Glyphosate: An Ab-initio Study
P. Kaliannan, M. Mohamed Naseer Ali, T. Seethalakshmi and P. Venuvanalingam.
J.Mol.Stru (Theochem). 618 /1-2, 2002,117. [Full Text]
41. Quantitative Property Relationship (QPPR) Approach in Predicting Flotation efficiency of chelating agents as Mineral collections.
R. Natarajan, I. Nirdhosh, P. Venuvanalingam and M. Ramalingam.
SAR QSAR Environ.Res. 2002, 13, 499 [Full Text]
40. AB initio study of Tautomerism and Hydrogen Bonding of ß-Carbonylamine in gas phase and in water solution.
G. Buemi, F. Zuccarello, P. Venuvanalingam and M. Ramalingam.
Theor. Chem Acc. 2000, 104, 226-234. [Full Text]
39. Origin and Nature of Lithium and Hydrogen Bonds to Oxygen, Sulfur, and Selenium.
S. Salai Cheettu Ammal and P.Venuvanalingam.
J. Phys. Chem.A. 104, 2000, 104, 10859. [Full Text]
38. Ab initio and DFT studies on the Lithium and Hydrogen Bonded complexes of LiF and HF with s and n+s complexes.
S. Salai Cheettu Ammal and P.Venuvanalingam.
Indian. J. Chem. A, 2000, 39, 80
37. Geometrical Preferences in Bis (dithiocarbamato) tin (1V) complexes: X-ray Structure of cis – I2Sn [S2CN (C2H5) 2] 2 and theoretical investigations.
R. Selvaraju, M. Manoharan, P. Laavanya, K. Panchanatheswaran and P. Venuvanalingam.
J. Chem Research. 1999, 82. [Full Text]
36. Theoretical Studies on Molecular Structures and Hydrogen bon d interactions in Glyoxalmonoxime and its methyl derivative.
M. Ramalingam and P. Venuvanalingam. In “Recent Trends in Catalysis” ed.
V. Murugesan, B. Arabindoo and M. Palanichamy, Narosa, New Delhi, 1999, 720-725.
35. A Semantic Tree Algorithm for the Generation of Sextet Polynomials of Hexagonal Systems.
M. M. Balakrishnarajan and P. Venuvanalingam.
Computers Math. Applic. 1999, 37, 97. [Full Text]
34. A Proton and Carbon NMR Spectroscopic Study of Acenaphthenes.
G. Vasuki S. Perumal, V. Vijayabhaskar, S. Selvaraj, M. Ramalingam and P. Venuvanalingam.
Mag. Reson. Chem. 1998, 36, 943. [Full Text]
33. Ab Initio Study of Formazan and 3-Nitro-Formazan.
G. Buemi, F. Zuccarello, P. Venuvanalingam, M. Ramalingam and S. Salai Cheettu Ammal.
J. Chem. Soc. Faraday Trans. 1998, 94, 3313. [Full Text]
32. p- Systems as Lithium/Hydrogen Bond Acceptors: Some theoretical Observations
S. Salai Cheettu Ammal and P.Venuvanalingam.
J. Chem. Phys. 1998, 109, 9820. [Full Text]
31. Ab Initio and DFT Investigations on Lithium/Hydrogen Bonded complexes of Trimethylamine Dimethyl ether and Dimethyl sulfide.
S. Salai Cheettu Ammal and P.Venuvanalingam.
J. Chem. Soc. Faraday Trans. 1998, 94, 2669. [Full Text]
30. Gain or Loss of Aromaticity in Diels-Alder Transition States and Adducts: A Theoretical Investigation.
M. Manoharan and P. Venuvanalingam.
J. Phys. Org. Chem. 1998, 11, 133. [Full Text]
29. Theoretical Investigations on the Reactivity of Sulfur Centered Heterocumulenes as Dienophiles in Diels-Alder Reactions and Endo lone- pair Effect.
M. Manoharan and P. Venuvanalingam.
Int. J. Quantum Chem. 1998, 66, 309. [Full Text]
28. Structure of the Benzene...ICl Complex: An UVPES and Ab Initio Molecular Orbital Study.
S. Salai Cheettu Ammal, S.P. Ananthavel, P. Venuvanalingam and M. S. Hegde.
J. Phys. Chem. A. 1998, 102, 532. [Full Text]
27. Diels-Alder Additions of Butadiene to Various Thiocarbonyl (R2CO=SOn, n=0-2) Heterodienophiles and Endo Lone Pair Effect in Heterocumulene.
M. Manoharan and P. Venuvanalingam.
J. Phys. Org. Chem. 1997, 10, 768. [Full Text]
26. Lithium Bonding Interaction in H2CY...LiF (Y=O, S) Complexes: A Theoretical Probe.
S. Salai Cheettu Ammal, P.Venuvanalingam and Sourav Pal.
J. Chem. Phys. 1997, 107, 4329. [Full Text]
25. The Role of Cumulenic Strain on the Kinetic and Thermodynamic Control of the Diels-Alder Reactions Involving Allenes as Dienes.
M. Manoharan and P. Venuvanalingam.
J.Chem.Soc. Perkin Trans. 1997, 2, 1799. [Full Text]
24. Kinetic and Theoretical Studies on the Reaction of Phenacyl bromide with 4DMAP in the presence of certain Phenols.
M. Krishna Pillay, R. Jeyaraman, M. Nallu, P. Venuvanalingam and M. Ramalingam.
Indian J. Chem. A, 1997, 36, 414. [Full Text]
23. UVPES and ab initio Molecular Orbital studies on the Electron Donor - Acceptor Complexes of Bromine with Methylamines.
S. Salai Cheettu Ammal, S .P. Ananthavel, P.Venuvanalingam and M. S. Hegde.
J. Phys. Chem. A. 1997, 101, 1155. [Full Text]
22. Transition Structures for the Epoxidation of Alkenes by Methylated Dioxiranes.
M. Manoharan and P. Venuvanalingam.
J. Mol. Struct.(Theochem). 1997, 394, 41. [Full Text]
21. Allenes and Fluoroallenes as Dienophiles in Diels-Alder Reactions: an AM1and PM3 study.
M. Manoharan and P. Venuvanalingam.
J. Chem. Soc. Perkin Trans. 2, 1996, 1423. [Full Text]
20. Heuristic Enhancements of Search for the Generation of All Perfect Matchings.
M. M. Balakrishnarajan and P. Venuvanalingam.
Appl Math. Lett. 1996, 9, 49. [Full Text]
19. Electron Donor Acceptor Complexes of Iodine with Diethyl Ether and Diethyl sulphide - An ab initio MO Study.
S. Salai Cheettu Ammal, S.P. Ananthavel, J. Chandrasekhar, P.Venuvanalingam and M. S. Hegde.
Chem. Phys. Lett. 1996, 248, 153. [Full Text]
18. Local Symmetry and Coset Representations.
S. Salai Cheettu Ammal and P.Venuvanalingam.
Chemistry Education. 1995, 10, 4.
17. Theoretical Study on Mechanism and Reactivity of Fluorocumulenes in [4+2] Cycloadditions.
M. Manoharan and P. Venuvanalingam
J. Fluor. Chem. 1995, 73, 171 [Full Text]
16. Computer Generation of Pauling Bond Orders using Heuristic Search.
M. M. Balakrishnarajan and P. Venuvanalingam.
J. Chem. Inf. Comput. Sci. 1995, 35, 717. [Full Text]
15. A fast Graph Traversal Algorithm for the computer Enumeration of P-V paths of Benzenoid Graphs.
M. M. Balakrishnarajan and P. Venuvanalingam.
Comput. Chem. 1995, 19, 101. [Full Text]
14. An Artificial Intelligence Approach for the Generation and Enumeration of perfect Matchings on Graphs.
M. M. Balakrishnarajan and P.Venuvanalingam.
Computers Math. Applic. 1995, 29, 115. [Full Text]
13. Ultraviolet photoelectron spectroscopy of complexes of bromine with n-donors in the vapour phase.
S. P. Ananthavel, S. Salai Cheettu Ammal, P.Venuvanalingam, J. Chandrasekhar and M. S. Hegde.
Chem. Phys. Lett. 1994, 228, 431. [Full Text]
12. General method for the computation of matching polynomials of graphs.
M. M. Balakrishnarajan and P.Venuvanalingam.
J. Chem. Inf. Comput. Sci. 1994, 34, 1122. [Full Text]
11. Learning Approach for the Computation of Generalized Wheland Polynomials of Chemical Graphs.
M. M. Balakrishnarajan and P. Venuvanalingam.
J. Chem. Inf. Comput. Sci. 1994, 34, 1113. [Full Text]
10. Topological Resonance Energy Predictions on Stabilities of Fullerene clusters.
M. Manoharan, M. M. Balakrishnarajan, P. Venuvanalingam and K. Balasubramanian
Chem. Phys. Lett. 1994, 222, 95. [Full Text]
9. Algorithms for the construction of molecular distance matrix and distance polynomial of chemical graphs on parallel computers.
P. Thangavel and P. Venuvanalingam.
J. Chem. Inf. Comp. Sci. 1993, 33, 412. [Full Text]
8. Symmetry types of normal modes of linear molecules.
P. Venuvanalingam and K. V. Raman.
Chemistry Education. 1992, 8, 10-14.
7. Parallel Algorithm for the computation of Characteristic Polynomials of Chemical Graphs.
P. Venuvanalingam and P. Thangavel.
J.Comput.Chem. 1991, 12, 779. [Full Text]
6. Calculation of MO energy levels of conjugated systems using graph theory.
S. Arumugam and P.Venuvanalingam.
Chemistry Education. 1988, 4, 22.
5. Cyclopolymerization initiated by peroxodisulfate ion and metal ion catalysis.
N. R. Subbaratnam, S. P. Manickam, P. Venuvanalingam and A. Gopalan.
J. Macromol. Sci.-Chem. A 1986, 23, 117. [Full Text]
4. Kinetics of polymerization of N, N’-methylenebisacrylamide initiated by permanganate-oxalic acid redox system.
A. Gopalan, P.Venuvanalingam, S. P. Manickam, K. Venkatarao and N.R.Subbaratnam.
Eur.Polym.J. 1982, 18, 531. [Full Text]
3. Molecular Complexes of p-benzoquinonechlorimides with aromatic Pi-donors.
P.Venuvanalingam, U. Chandra Singh and N. R. Subbaratnam.
Spectrochim. Acta. A, 1981, 37, 505. [Full Text]
2. Charge Transfer Spectra of complexes with benzoquinonechlorimide as electron acceptors.
P.Venuvanalingam, U. Chandra Singh and N. R. Subbaratnam.
Spectrochim. Acta. A 1981, 37, 1. [Full Text]
1. Semi-empirical MO calculations on the electronic spectra of benzoquinone- chlorimides.
P. Venuvanalingam, U. Chandra Singh, N. R. Subbaratnam and V. K. Kelkar.
Spectrochim .Acta. A, 1980, 36, 103. [Full Text]
G. Velmurugan, R. Vijay Solomon, D. Senthilnathan and P. Venuvanalingam (2019).
n Kamran T. Mahmudov, Maximilian N. Kopylovich, M. Fátima C. Guedes da Silva and Armando J. L. Pombeiro (Eds),
Non-covalent Interactions in Catalysis (Chapter 28), London, U.K.: Royal Society of Chemistry
138. Half-sandwich Ru(η6-p-cymene) Complexes Featuring Pyrazole Appended Ligands: Synthesis, DNA Binding and In Vitro Cytotoxicity Activity
Y. C.Huang, J. Haribabu, C. Chien, G. Sabapathi, Chon Kit Chou, R. Karvembu, P. Venuvanalingam,W. Ching, Ming-Li Tsai, and Sodio C. N. Hsu.
J. Inorg. Biochem.,2018.( Under revision)
137. Biomolecular Interaction, Anti-Cancer And Anti-Cancer And Anti-Angiogenic Properties of Cobalt(III) Schiff Base Complexes.
S.Ambika, Y. Manojkumar, S. Arunachalam, G.Balakrishnan, K. K. Meenakshi, R. Vijay Soloman, P. Venuvanlingam, M. A. Akbarsha,and M. Sundaraman
Sci.Rep. 2018. (Under revision)
136. Evaluation of the Leaves Essential Oil from Artemisia vulgaris L. and their Larvicidal and Repellent Activity Against Dengue Fever Vector Aedes aegypti L. - An Experimental and Molecular Docking Investigation
S. Balasubramani, G. Sabapathi, A. Moola, R. Vijay Solomon, P. Venuvanalingam, and B. D. Ranjitha Kumari
ACS omega, 2018, 3, 15657. [Full Text]
135. Water-soluble Cobalt(II) & Cobalt(III) complexes supported by new triazine Schiff base ligands: Synthesis, structure and biological evaluation
S. Parveena, G. Velmurugan, Ekkehard Sinn, P. Venuvanalingam and S. Govindarajan
J. Photochem. Photobiol. B, Biol.,2018,189,152. [Full Text]
134. Structure and Reactivity of Pd Complexes in Various Oxidation States in Identical Ligand Environments with Reference to C-C and C-Cl Coupling Reactions: Insights from DFT.
R. Jagadeesan, S. Gopal, M. Jaccob and P. Venuvanalingam.
Inorg. Chem., 2018, 57, 6833. [Full Text]
133. Water Soluble Mono- and Binuclear Ru(η6-p-Cymene) Complexes Containing Indole Thiosemicarbazones: Synthesis, DFT Modeling, Biomolecular Interactions and In Vitro Anticancer Activity Through Apoptosis
H. Jebiti, G.Sabapathi, M. Muthu Tamizh, B. Chandrasekar, B. Nattamai, P. Venuvanalingam and R. Karvembu
Organometallics, 2018, 37, 1242. [Full Text]
132. Are cucurbiturils better drug carriers for bent metallocenes? Insights from theory
D. Senthilnathan, R. Vijay Solomon, S. Kiruthika, P. Venuvanalingam and M. Sundararajan
J. Biol. Inorg. Chem., 2018, 23, 413. [Full Text]
131. A Multispectroscopic and Molecular Docking Investigation of the Binding Interaction between Serum Albumins and Acid Orange Dye
S. Naveenraj, R. Vijay Solomon, R. Viswanathan Mangalaraj, P. Venuvanalingam, A.M. Asiri and S. Anandan
Spectrochim. Acta A Mol. Biomol. Spectrosc., 2018, 192, 34. [Full Text]
130. A Spectroscopic Approach with Theoretical Studies to Study the Interaction of 9-aminoacridine with Certain Phenols
C.Manivannana, R Vijay Solomon, P. Venuvanalingam and R. Renganathan
Z. Phys. Chem., 2017, 231(5), 939. [Full Text]
129. Encapsulation of Hexaaza Macrocyclic Nickel(II) Complex in zeolite Y: An Experimental and Theoretical investigations
S. Chandra Mohan, R.V. Solomon, P. Venuvanalingam and K. Jothivenkatachalam
New J. Chem., 2017, 41, 9505. [Full Text]
128. Hydrogenolysis of sorbitol over Ni, Pt and Ru supported on SBA-15
M Banua, T M Sankaranarayanana, P Venuvanalingam, G Magesha and S Sivasankera
Indian Journal of Chemistry 2017, 56A, 226. [Full Text]
127. Surfactant–cobalt(III) complexes:The impact of hydrophobicity oninteraction with HSA and DNA – insights from experimental and theoretical approach
S. Veeralakshmi, G. Sabapathi, S. Nehru, P. Venuvanalingam and S.Arunachalama.∗
Colloids and Surfaces B: Biointerfaces, 2017, 153, 85. [Full Text]
126. Green light-emitting 2-(1H-indol-3-yl)acetonitrile-based D–A fluorophores – a combined theoretical and experimental study
S. Muruganantham, N. Nagarajan, G. Velmurugan, A. Prakash, M. Katiyar, P.Venuvanalingam and R. Renganathan
Mater. Chem. Front. 2017, 1, 1373. [Full Text]
125. Structural Elucidation and Physicochemical Properties of Mononuclear Uranyl(VI) Complexes Incorporating Dianionic units
M. Azam1, G.Velmurugan, S. M. Wabaidur, A.Trzesowska-Kruszynska, R. Kruszynski, S. I. Al-Resayes, Z. A. Al-Othman and P. Venuvanalingam.
Sci.Rep. 2016, 6, 32898.[Full Text]
124. Noncovalent Interactions between the Second Coordination Sphere and the Active Site of [NiFeSe] Hydrogenase.
S. Angeline Vedha, G. Velmurugan and P. Venuvanalingam*
RSC Adv., 2016, 6, 81636.[Full Text]
123. Rational Design of Cyclopenta[β]naphthalenes for Better Optoelectronic and Photophysical Properties Using DFT/TDDFT Methods
R. Jagadeesan, G. Velmurugan and P. Venuvanalingam
RSC Adv., 2016, 6, 44569.[Full Text]
122. The nature of Pd–carbene and Pd–halogen bonds in (bisNHC)PdX2 type catalysts: insights from density functional theory
R. Jagadeesan, G. Velmurugan and P. Venuvanalingam
RSC Adv., 2015, 5, 80661.[Full Text]
121. Elucidating the structures and cooperative a binding mechanism of cesium salts to multitopic Ion-Oair receptor through density functional theory calculations.
B. Sadhu, S. Mahesh, G. Velmurugan and P.Venuvanalingam
Dalton Trans.,2015, 6, 32898. [Full Text]
120. Insights from the Computational Studies on the Oxidized as Isolated State of [NiFeSe] Hydrogenase from
D. vulgaris Hildenborough
S. Angeline Vedha, G. Velmurugan, G. Jagadeesan, and P. Venuvanalingam
Phys. Chem. Chem. Phys., 2015, 17,20677. [Full Text]
119. A DFT/TDDFT mission to probe push-pull vinyl coupled thiophene oligomers for optoelectronic applications
D.Gajalakshmi, R. Vijay Solomon, V. Tamilmani, M. Boobaland, and P. Venuvanalingam
RSC Adv., 2015, 5, 50353. [Full Text]
118. Single and double chain surfactant-cobalt(III) complexes: the impact of hydrophobicity on the interaction with calfthymus DNA nad their biological activities.
S. Veeralakshmi, S. Nehru, G. Sabapathi, S. Arunachalam, P. Venuvanalingam, P. Kumar, C. Anushad and V. Ravikumard
RSC Adv., 2015, 5, 31746. [Full Text]
117. Synthesis, DNA binding and docking studies of copper(II) Complexes containing modified phenanthroline ligands.
Jagadeesan Lakshmipraba, Sankaralingam Arunachalam, R Vijay solomon and P Venuvanalingam
J. Coord. Chem., 2015, 68, 1374. [Full Text]
116. Luminescent Re(I) Terpyridine Complexes for OLEDs: What does DFT/TD-DFT Probe Reveal?
G. Velmurugan and P. Venuvanalingam
Dalton Trans., 2015, 44, 8529. [Full Text]
115. Novel Uranyl(VI) Complex incorporating propylene-bridged salen-type N2O2-Ligand: A Structural and Computational Approach
M. Azam, Saud. I. Al-Resayes, G. Velmurugan and P. Venuvanalingam,
Dalton Trans. 2015, 44, 568. [Full Text]
114. Surfactant–copper(II) Schiff base complexes: synthesis, structural investigation, DNA interaction, docking studies, and cytotoxic activity.
J. Lakshmipraba, S. Arunachalam, R. Vijay Solomon, P. Venuvanalingam, A. Riyasdeen, R. Dhivya and M. A. Akbarsha
J. Biomol. Struct. Dyn. 2015,33,877. [Full Text]
113. Influence of self-assemble on intercalative DNA binding interaction of double-chain surfactant Co(III) complexes containing imidazo[4,5-f][1.10]phenanthroline and dipyridol[3,2-d:2'2'-3'-f]quinoxaline ligands: experimental and theoretical study
K. Nagaraj, G. Velmurugan, S. Sakthinathan, P. Venuvanalingam and S. Arunachalam*
Dalton Trans. 2014, 43, 18074 [Full Text]
112. The Nature of R22(8) Motifs in Organic Crystals - a Computational Exploration
D. Deepa, R. Vijay Solomon, S. Angeline Vedha, P. Venuvanalingam and P. Kolandaivel.
J.Mol.Phys. 2014, 112, 3195 [Full Text]
111. Computational Evaluation of Optoelectronic and Photophysical Properties of Unsymmetrical Distyrylbiphenyls.
G. Velmurugan, S. Angeline Vedha and P. Venuvanalingam
RSC Adv. 2014, 4, 53060. [Full Text]
110. Are Re(I) Phenanthroline Complexes best candidates for OLED? Answers from DFT and TD-DFT Investigations.
G. Velmurugan, B. K. Ramamoorthi and P. Venuvanalingam
Phys. Chem. Chem. Phys., 2014, 16, 21157. [Full Text]
109. Unraveling the Reaction Mechanism, Enantio and Diastereoselectivities of Selenium Ylide Promoted Epoxidation.
M. Jaccoba, G. Sabapathi, J. Vijaya Sundar, P. Kolandaivel, V.Subramanian and P. Venuvanalingam
Indian. J. Chem, A. 2014, 53A, 1001. [Full Text] [Invited Article]
108. Atomic Partitioning of M-H2 Bonds in [NiFe] Hydrogenase- A Test Case of Concurrent Binding
R. Vijay Solomon, S. Angeline Vedha and P. Venuvanalingam.
Phys. Chem. Chem. Phys. 2014, 16, 10698. [Full Text]
107. Tunable single and dual emission behavior of imidazole fluorophores based on D-Л-A architecture
N. Nagarajan, G. Velmurugan, P. Venuvanalingam and R. Renganathan.
J. Photochem. Photobiol. A. 2014, 284, 36 [Full Text]
106. A new turn in Codon-Anticodon selection through halogen bonds
R. Vijay Solomon, S. Angeline Vedha and P. Venuvanalingam.
Phys. Chem. Chem. Phys. 2014, 16, 7430. [Full Text]
105. The metal delivery mechanism of trasferrin and the role of bent metallocnene metals towards anticancer activity – A theoretical exploration.
D. Senthilnathan, S. Angeline Vedha, A. Kalaiselvan and P. Venuvanalingam.
RSC Adv. 2014, 4, 9556. [Full Text]
104. Synthesis, characterisation and electroluminescence behaviour of pi-conjugated imidazole-isoquinoline derivatives
N. Nagarajan, Asit Prakash Bajpai, G. Velmurugan, Nanda Shakti, Monica katiyar, P. Venuvanalingam and R. Renganathan
Dyes and Pigments, 2014, 102, 180. [Full Text]
103. A combined experimental and theoretical studies on Synthesis, Characterization, Photophysical and electrochemical properties of imidazole-carbazole derivatives
N. Nagarajan, G. Velmurugan, N. Prabhu, P. Venuvanalingam and R. Renganathan
J. Lumin. 2014, 111, 111. [Full Text]
102. A DFT/TDDFT modeling of Bithiophene azo chromophores for optoelectronic applications
R. Vijay Solomon, R. Jagadeesan, S. Angeline Vedha and P. Venuvanalingam
Dyes and Pigments. 2014, 100, 261 [Full Text]
101. Novel Highly Emissive Luminogens Based on Imidazo[1,2-a]pyridine for Electroluminescent Applications
N. Nagarajan, G. Velmurugan, A. Prakash, N. Shakti, M. katiyar, P. Venuvanalingam and R. Renganathan
Chem. Asian J, 2014, 9, 294 [Full Text]
100. Tuning the photophysical properties of 2-quinolinone based Donor-Acceptor molecules through N vs O alkylation: Insights from experimental and theoretical investigations
G. Paramaguru, R. Vijay Solomon, S. Jagadeeswari, P. Venuvanalingam and R. Renganathan.
Eur. J. Org. Chem., 2013, 4, 753. [Full Text]
99. Effect of electron withdrawing anchoring groups on the optoelectronic properties of pyrene sensitizers and their interaction with TiO2: A combined experimental and theoretical approach
G. Paramaguru, R. Vijay Solomon, S. Jagadeeswari, P. Venuvanalingam and R. Renganathan
J. Photochem. Photobiol. A, 2013, 271, 31 [Full Text]
98. Mechanism and Diastereoselectivity of Arsenic Ylide Mediated cyclopropanation – A Theoretical Study
M. Jaccob and P. Venuvanalingam
RSC Adv. 2013, 39, 17793 [Full Text]
97. Interaction between toxic azo dye C. I. Acid Red 88 and Serum Albumins
S. Naveenraj, R. Vijay Solomon, P. Venuvanalingam, A. M. Asiri and S. Anandan
J. Luminescence, 2013, 143, 715. [Full Text]
96. Conjugated polymer based on oligobenzo[c]thiophene with low-lying HOMO energy level as potential donor for bulk heterojunction solar cells
M. Ruby Raj, S. Anandan, R. Vijay Solomon, P. Venuvanalingam, S. S. Kumar Iyer and M. Ashokkumar
J. Photochem. Photobiol. A: Chemistry, 2013, 262, 34. [Full Text]
95. On the Nature of Hypercoordination in Dihalogenated Perhalocyclohexasilanes
S. Angeline Vedha, R. Vijay Solomon, and P. Venuvanalingam
J. Phys. Chem. A. 2013, 117, 3529. [Full Text]
94.Phenylacetylene dimer: ab initio and DFT study
Maciej Kolaski; Naresh Patwari and P. Venuvanalingam
Chem. Phys., 2013, 415, 150. [Full Text]
93.Studies on the inclusion behavior of 9-Aminoacridine into cyclodextrins: Spectroscopic and theoretical evidences.
C. Manivannan, R. Vijaysolomon, P. Venuvanalingam and R. Renganathan
Spectrochimica Acta Part A 2013, 103, 18. [Full Text]
92.Sequence Selectivity of Azinomycin B in DNA Alkylation and Cross-linking: A QM/MM Study.
D. Senthinathan, A. Kalaiselvan and P. Venuvanalingam
J. Mol. Model. 2013, 19, 383. [Full Text]
91.Synthesis of Conjugated Perylene Diimide-based Copolymer with 5,5'-Bis(4-aminophenyl)-2-2'-bifuryl Moiety as an Active Material for Organic Photovoltaics
M. Ruby Raj, S. Anandan, R. Vijay Solomon, P. Venuvanalingam, S. S. Kumar Iyer and M. Ashokkumar
J. Photochem. Photobiol. A: Chemistry, 2012, 247, 52. [Full Text]
90.Sorbitol Hydrogenolysis Over Ni, Pt and Ru Supported on NaY
M. Banu, P. Venuvanalingam, R. Shanmugam, B. Viswanathan and S. Sivasanker
Top. Catal. 2012, 55, 897. [Full Text]
89.Designing benzosiloles for better optoelectronic properties using DFT & TDDFTappraches
R. Vijay Solomon, A. Bella, S. Angeline Vedha and P. Venuvanalingam
Phys. Chem. Chem. Phys., 2012, 14, 14229 [Full Text]
88. Tuning Non lineroptical and Optoelectronic Properties of Vinyl Coupled Triazene Chromophores – A Density Functional Theory and Time Dependent Density Functional Theory Investigation
R. Vijay Solomon, P. Veerapandian, S. Angeline Vedha and P. Venuvanalingam
J. Phys. Chem. A 2012, 116, 4667. [Full Text]
87. Bifunctional reactivity and catalytic activity of imidozirconocene complex: evidences from DFT study on its reaction with epoxides.
D. Senthilnathan, R. Vijay Solomon, and P. Venuvanalingam.
J. Chem. Sci., 2012, 124,167 [Full Text]
86. Enhanced Photocatalytic Degradation of Azo Dyes using Nano Fe3O4.
R. Vijay Solomon, I. Sharmila Lydia, J. Princy Merlin and P. Venuvanalingam.
J. Iran. Chem. Soc., 2012, 9, 101 [Full Text]
85. A combined experimental and computational study on the sulfoxidation by high-valent iron bispidine complexes
M. Jaccob, P. Comba, M. Maurer, V. Praba, and P Venuvanalingam.
Dalton Trans., 2011, 40, 11276 [Full Text]
84. Elucidating the structures and binding of halide ions bound to cucurbit[6]urils, hemi-cucurbit[6]urils and bambus[6]urils using Density Functional Theory Calculations
S. Mahesh, R. Vijay Solomon, S. K. Ghosh, and P. Venuvanalingam.
RSC Adv., 2011, 1, 1333 [Full Text]
83. An Investigation on the interaction between anticancer herbal drug and bovine serum albumin:Approach from spectroscopic and docking studies.
M. Asha Jhonsi, S. Selvaraj, G. Paramaguru, A. Kathiravan, P.Venuvanalingam and R.Renganathan.
Z. Phys. Chem. 2011, 225,441
82. Imidozirconocene-Mediated Ring Cleavage of Epoxides – Evidence for Bifunctional Reactivity from DFT
D. Senthilnathan and P. Venuvanalingam
Eur. J. Inorg. Chem. 2011,2842 [Full Text]
81. Computational Insights on the Role of Steric and Electrostatic Interactions in Arsenic Ylide Mediated Aziridination Reaction
M. Jaccob and P. Venuvanalingam
Eur. J. Org. Chem. 2011 ,3458 [Full Text]
80. Spectroscopic Studies on TiO2 Enhanced Binding of Hypocrellin B with DNA
G. Paramaguru, R. Vijay Solomon, P. Venuvanalingam and R. Renganathan
J. Fluorence 2011, 2, 1887 [Full Text]
79. Understanding the stability, electronic and molecular structure of some copper(III) complexes containing alkyl and non alkyl ligands: Insights from DFT calculations
S.Baskaran, P.Venuvanalingam and C.Sivasankar
J. Organometallic Chem., 2011, 696,2627 [Full Text]
78. Hydrogenolysis of sorbitol over Ni and Pt loaded on NaY.
M. Banu, S. Sivasanker, T.M. Sankaranarayanan and P. Venuvanalingam.
Cat. Comm., 2011,12, 673. [Full Text]
77. Biocatalysis of azidolysis of epoxides:Computational evidences on the role of Halohydrin dehalogenase (HheC).
D. Senthilnathan, V. Tamilmani, and P. Venuvanalingam
J. Chem. Sci.,2011, 123, 279. [Full Text]
76. Half-rotations Leading to Retention of Stereochemistry in Epoxide Ring Opening by Selenocycnate Ion:Insights from DFT Modeling.
A.Kalaiselvan, K.Muthukumar D.Senthilnathan, Pascale Maldivi and P.Venuvanalingam.
Int. J. Quant. Chem. 2011,111,2323. [Full Text]
75. Antitumor activity of Bent metallocenes : Electronic structure analysis using DFT computations.
D. Senthilnathan, S. Vaideeswaran, G. Frenking and P.Venuvanalingam.
J. Mol. Model. 2011,17,465 [Full Text]
74. Application of Activation Hardness in Perturbed Pericyclic Reactions: A Case Study Involving Electrocyclization of Heterocyclobutadienes.
M. Jaccob, I. Sheeba Jem, Santanab Giri , P.K.Chattaraj and P. Venuvanalingam.
J.Phys Org Chem. 2010, 23, 1 [Full Text]
73. On the Measures of Aromaticity.
G.N.Sastry, P.Venuvanalingam and P.Kolandaivel.
Chapter 2 , Aromaticity and Metal Clusters, Ed.Pratim K.Chattaraj, Taylor and Francis, Newyork, 2010, p31-55.
72. Interaction of anthraquinone dyes with lysozyme: Evidences from spectroscopic and docking studies.
G. Paramaguru, A. Kathiravan, S.Selvaraj, P.Venuvanalingam and R. Renganathan.
J. Hazard. Matter. 2010, 175, 985. [Full Text]
71. Singlet Methylene Insertion into Polar O-H and N-H Bonds of Water and Ammonia - Ab Initio and DFT Study.
K.Ramasami, M.Ramalingam M.Jaccob and P.Venuvanalingam.
Int. J. Quant. Chem. 2009 , 110, 1310. [Full Text]
70. Singlet Methylene and Halocarbenes Insertions into Polar N-H Bonds of Amines.
K.Ramasami, M.Ramalingam and P.Venuvanalingam.
J. Theor. Comput. Chem. 2009, 8, 1143. [Full Text]
69. Fluorine effect on Pericyclic and Pseudopericyclic Processes: Evidences from Ab Initio Theory.
Lakshminarayanan Akilandeswari, Madhavan Jaccob and Ponnambalam Venuvanalingam.
J. Chem. Sci. 2009, 121, 1. [Full Text]
68. “Quantum Chemistry of Chemical Bonding and Interactions”.
Chapter 3 , Theory of Chemical Reactivity, Ed.Pratim K.Chattaraj, Taylor and Francis, Newyork, 2008 p 23-38.
67. Investigations on the fluorescenece quenching of 2,3-diazobicyclo[2.2.2]oct-2- ene by certain flavonoids.
V. Anbazhagan, A. Kalaiselvan, M. Jaccob, P. Venuvanalingam and R. Renganathan.
J. Photochem. and Photobiol. B:Biology. 2008, 91, 143. [Full Text]
66. Harmonic analysis of vibrations of morpholine-4-ylmethylthiourea: A DFT, Midinfrared and Raman Spectral Study.
M. Ramalingam, M. Jaccob, J. Swaminathan, P. Venuvanalingam and N. Sundaraganesan.
Spectrochim. Acta. Part A. 2008, 71, 996. [Full Text]
65. Regio and stereoselectivity of ionic cycloadditions.
V. Tamilmani, D. Senthilnathan and P. Vennuvanalingam.
J. Chem. Sci. 2008, 120, 225. [Full Text]
64. Is corannulene a better diene or dienophile? A DFT analysis.
J. Prabaha, S. Mahesh, G. Rajaraman, P. Venuvanalingam, K. Rashmi and S. R. Gadre.
J. Phys. Org. Chem. 2007, 21, 146. [Full Text]
63. Insertion of singlet cholrocarbenes across C-H bonds in alkanes: Evidence for two phase mechanism.
M. Ramalingam, K. Ramasami, and P. Venuvanalingam.
J. Chem. Sci. 2007, 119, 467. [Full Text]
62. Computational insights on lone pair induced modulation during the thermal rearrangement of 6-halopyrone.
L. Akilandeswari, and P.Venuvanalingam.
J. Theor. Comp. Chem. 2007, 6, 233. [Full Text]
61. Ring opening of Boriranes vis-à-vis Aziridines: An ab initio and DFT Probe on the Mechanisms.
A. Kalaiselven, and P.Venuvanalingam.
Int. J. Quantum Chem. 2007, 107, 1590. [Full Text]
60. C-H Functionalisation through singlet chlorocarbenes insertions – MP2 and DFT Investigations.
M. Ramalingam, K. Ramasami, P. Venuvanalingam and V. Sethuraman.
ICCS 2006, Part III, LNCS 3993, 2006, 143. [Full Text]
59. Transition states and charge analyses along the IRC for the singlet chlorocarbenes insertions into C-H bond alkanes.
M.Ramalingam, K.Ramasami and P.Venuvanalingam.
Chem.Phys.Lett. 2006, 430, 414-419. [Full Text]
58. Ab Initio and DFT investigations on the stereochemistry of ring opening of Episulfide.
A.Kalaiselvan and P.Venuvanalingam.
J. Mol. Struct.(Theochem). 2006,763, 1 [Full Text]
57. Electrostatic Control on Endo/Exo Selectivity in Polar Cycloadditions.
V.Tamilmani, C.A Daul and P.Venuvanalingam.
Chem.Phys.Lett. 2005, 416, 354-357. [Full Text]
56. An ab initio and DFT study on the hydrolysis of carbonyl dichloride
S. Mahesh, G. Rajaraman, J. Prabha,V. Tamilmani and P. Venuvanalingam.
J. Mol. Struct.(Theochem). 2005, 730, 155. [Full Text]
55. Open Vs Closed 1,3-Dipolar additions of C60: A Theoretical Investigation on their mechanism and Regioselectivity.
K. Kavitha and P. Venuvanalingam.
J. Org. Chem. 2005, 70 , 5426. [Full Text]
54. Ab initio Computational Modeling of glyphosate analogs: Conformational perspective.
M. Mohammed Naseer Ali, P. Kaliannan and P. Venuvanalingam.
Struct. Chem. 2005 , 16, 491-506. [Full Text]
53. Ring Cleavage of Aziridines by Difluoroamine: Mechanistic Insight from Ab-Initio and DFT study.
A. Kalaiselvan, S. Salai Cheettu Ammal, P. Venuvanalingam, and Hiroshi Yamataka.
J. Phys. Chem. A. 2005, 109, 4829. [Full Text]
52. Low-Lying Stepwise Paths for Ethylene 1,3-Dipolar Cycloadditions: A DFT Study.
K. Kavitha and P. Venuvanalingam.
Int.J.Quant.Chem. 2005, 104, 64. [Full Text]
51. Oxaphosphetane Vs betaine formation in epoxide ring opening by PPh3: a mechanistic probe by ab-initio and DFT Modeling.
A. Kalaiselvan and P. Venuvanalingam.
Tetrahedron Lett. 2005, 46, 4087. [Full Text]
50. Hydrogen bond stabilization in Diels-Alder Transition states. The cycloaddition between O-hydroxy-orthoquinodimethane with Fumaric acid and Dimethyl fumarate.
V. Tamilmani, C. A. Daul, J. L. Robles, C. G. Bochet and P. Venuvanalingam.
Chem. Phys. Lett. 2005, 406, 355. [Full Text]
49. 1,3-Dipolar reactions involving Corannulene: How does its Rim and Spoke addition vary?
K. Kavitha, M. Manoharan and P. Venuvanalingam.
J. Org. Chem. 2005,70, 2528. [Full Text]
48. Ab Initio and DFT Modeling of Stereoselective Deamination of Aziridines by Nitrosyl Chloride.
A. Kalaiselvan and P. Venuvanalingam.
Int. J. Quant. Chem. 2005, 102, 136. [Full Text]
47. Conformation and function of N-hydroxy-glyphosate and N-amino- glyphosate: A Comparative study using ab initio MO theory.
M. Mohamed Naseer Ali, P. Kaliannan and P. Venuvanalingam.
J. Mol.Stru(Theochem). 2004, 714, 99. [Full Text]
46. Ab-initio and DFT studies on conformations, hydrogen bonding and electronic structures of glyoxal monooxime and its methyl derivative.
M. Ramalingam, P. Venuvanalingam, J. Swaminathan, Giuseppe Buemi.
J. Mol. Stru (Theochem). 2004, 712, 175. [Full Text]
45. Ab initio Computational Studies on Molecular Conformation of N-Methyl glyphosate.
P. Kaliannan, M. Mohamed Naseer Aliand P. Venuvanalingam.
Mol.Phys. 2003, 101, 3073. [Full Text]
44. Heteroatom Substituted Carbon Nanotubes: Can they be the Activating Centers for Hydrogen Adsorption.
M. Sankaran, A. Kalaiselvan, R. Ganesan, P. Venuvanalingam and B. Viswanathan.
Bull. Catal. Soc. India, 2002, 1167. [Full Text]
43. 1, 3- Dipolar Additions involving Allenes: A Density Functional of Study of Concerted and Stepwise Mechanism.
K. Kavitha and P. Venuvanalingam.
J.Chem.Soc. Perkin Trans. 2002, 2, 2130. [Full Text]
42. Electronic Structure and Conformation of Glyphosate: An Ab-initio Study
P. Kaliannan, M. Mohamed Naseer Ali, T. Seethalakshmi and P. Venuvanalingam.
J.Mol.Stru (Theochem). 618 /1-2, 2002,117. [Full Text]
41. Quantitative Property Relationship (QPPR) Approach in Predicting Flotation efficiency of chelating agents as Mineral collections.
R. Natarajan, I. Nirdhosh, P. Venuvanalingam and M. Ramalingam.
SAR QSAR Environ.Res. 2002, 13, 499 [Full Text]
40. AB initio study of Tautomerism and Hydrogen Bonding of ß-Carbonylamine in gas phase and in water solution.
G. Buemi, F. Zuccarello, P. Venuvanalingam and M. Ramalingam.
Theor. Chem Acc. 2000, 104, 226-234. [Full Text]
39. Origin and Nature of Lithium and Hydrogen Bonds to Oxygen, Sulfur, and Selenium.
S. Salai Cheettu Ammal and P.Venuvanalingam.
J. Phys. Chem.A. 104, 2000, 104, 10859. [Full Text]
38. Ab initio and DFT studies on the Lithium and Hydrogen Bonded complexes of LiF and HF with s and n+s complexes.
S. Salai Cheettu Ammal and P.Venuvanalingam.
Indian. J. Chem. A, 2000, 39, 80
37. Geometrical Preferences in Bis (dithiocarbamato) tin (1V) complexes: X-ray Structure of cis – I2Sn [S2CN (C2H5) 2] 2 and theoretical investigations.
R. Selvaraju, M. Manoharan, P. Laavanya, K. Panchanatheswaran and P. Venuvanalingam.
J. Chem Research. 1999, 82. [Full Text]
36. Theoretical Studies on Molecular Structures and Hydrogen bon d interactions in Glyoxalmonoxime and its methyl derivative.
M. Ramalingam and P. Venuvanalingam. In “Recent Trends in Catalysis” ed.
V. Murugesan, B. Arabindoo and M. Palanichamy, Narosa, New Delhi, 1999, 720-725.
35. A Semantic Tree Algorithm for the Generation of Sextet Polynomials of Hexagonal Systems.
M. M. Balakrishnarajan and P. Venuvanalingam.
Computers Math. Applic. 1999, 37, 97. [Full Text]
34. A Proton and Carbon NMR Spectroscopic Study of Acenaphthenes.
G. Vasuki S. Perumal, V. Vijayabhaskar, S. Selvaraj, M. Ramalingam and P. Venuvanalingam.
Mag. Reson. Chem. 1998, 36, 943. [Full Text]
33. Ab Initio Study of Formazan and 3-Nitro-Formazan.
G. Buemi, F. Zuccarello, P. Venuvanalingam, M. Ramalingam and S. Salai Cheettu Ammal.
J. Chem. Soc. Faraday Trans. 1998, 94, 3313. [Full Text]
32. p- Systems as Lithium/Hydrogen Bond Acceptors: Some theoretical Observations
S. Salai Cheettu Ammal and P.Venuvanalingam.
J. Chem. Phys. 1998, 109, 9820. [Full Text]
31. Ab Initio and DFT Investigations on Lithium/Hydrogen Bonded complexes of Trimethylamine Dimethyl ether and Dimethyl sulfide.
S. Salai Cheettu Ammal and P.Venuvanalingam.
J. Chem. Soc. Faraday Trans. 1998, 94, 2669. [Full Text]
30. Gain or Loss of Aromaticity in Diels-Alder Transition States and Adducts: A Theoretical Investigation.
M. Manoharan and P. Venuvanalingam.
J. Phys. Org. Chem. 1998, 11, 133. [Full Text]
29. Theoretical Investigations on the Reactivity of Sulfur Centered Heterocumulenes as Dienophiles in Diels-Alder Reactions and Endo lone- pair Effect.
M. Manoharan and P. Venuvanalingam.
Int. J. Quantum Chem. 1998, 66, 309. [Full Text]
28. Structure of the Benzene...ICl Complex: An UVPES and Ab Initio Molecular Orbital Study.
S. Salai Cheettu Ammal, S.P. Ananthavel, P. Venuvanalingam and M. S. Hegde.
J. Phys. Chem. A. 1998, 102, 532. [Full Text]
27. Diels-Alder Additions of Butadiene to Various Thiocarbonyl (R2CO=SOn, n=0-2) Heterodienophiles and Endo Lone Pair Effect in Heterocumulene.
M. Manoharan and P. Venuvanalingam.
J. Phys. Org. Chem. 1997, 10, 768. [Full Text]
26. Lithium Bonding Interaction in H2CY...LiF (Y=O, S) Complexes: A Theoretical Probe.
S. Salai Cheettu Ammal, P.Venuvanalingam and Sourav Pal.
J. Chem. Phys. 1997, 107, 4329. [Full Text]
25. The Role of Cumulenic Strain on the Kinetic and Thermodynamic Control of the Diels-Alder Reactions Involving Allenes as Dienes.
M. Manoharan and P. Venuvanalingam.
J.Chem.Soc. Perkin Trans. 1997, 2, 1799. [Full Text]
24. Kinetic and Theoretical Studies on the Reaction of Phenacyl bromide with 4DMAP in the presence of certain Phenols.
M. Krishna Pillay, R. Jeyaraman, M. Nallu, P. Venuvanalingam and M. Ramalingam.
Indian J. Chem. A, 1997, 36, 414. [Full Text]
23. UVPES and ab initio Molecular Orbital studies on the Electron Donor - Acceptor Complexes of Bromine with Methylamines.
S. Salai Cheettu Ammal, S .P. Ananthavel, P.Venuvanalingam and M. S. Hegde.
J. Phys. Chem. A. 1997, 101, 1155. [Full Text]
22. Transition Structures for the Epoxidation of Alkenes by Methylated Dioxiranes.
M. Manoharan and P. Venuvanalingam.
J. Mol. Struct.(Theochem). 1997, 394, 41. [Full Text]
21. Allenes and Fluoroallenes as Dienophiles in Diels-Alder Reactions: an AM1and PM3 study.
M. Manoharan and P. Venuvanalingam.
J. Chem. Soc. Perkin Trans. 2, 1996, 1423. [Full Text]
20. Heuristic Enhancements of Search for the Generation of All Perfect Matchings.
M. M. Balakrishnarajan and P. Venuvanalingam.
Appl Math. Lett. 1996, 9, 49. [Full Text]
19. Electron Donor Acceptor Complexes of Iodine with Diethyl Ether and Diethyl sulphide - An ab initio MO Study.
S. Salai Cheettu Ammal, S.P. Ananthavel, J. Chandrasekhar, P.Venuvanalingam and M. S. Hegde.
Chem. Phys. Lett. 1996, 248, 153. [Full Text]
18. Local Symmetry and Coset Representations.
S. Salai Cheettu Ammal and P.Venuvanalingam.
Chemistry Education. 1995, 10, 4.
17. Theoretical Study on Mechanism and Reactivity of Fluorocumulenes in [4+2] Cycloadditions.
M. Manoharan and P. Venuvanalingam
J. Fluor. Chem. 1995, 73, 171 [Full Text]
16. Computer Generation of Pauling Bond Orders using Heuristic Search.
M. M. Balakrishnarajan and P. Venuvanalingam.
J. Chem. Inf. Comput. Sci. 1995, 35, 717. [Full Text]
15. A fast Graph Traversal Algorithm for the computer Enumeration of P-V paths of Benzenoid Graphs.
M. M. Balakrishnarajan and P. Venuvanalingam.
Comput. Chem. 1995, 19, 101. [Full Text]
14. An Artificial Intelligence Approach for the Generation and Enumeration of perfect Matchings on Graphs.
M. M. Balakrishnarajan and P.Venuvanalingam.
Computers Math. Applic. 1995, 29, 115. [Full Text]
13. Ultraviolet photoelectron spectroscopy of complexes of bromine with n-donors in the vapour phase.
S. P. Ananthavel, S. Salai Cheettu Ammal, P.Venuvanalingam, J. Chandrasekhar and M. S. Hegde.
Chem. Phys. Lett. 1994, 228, 431. [Full Text]
12. General method for the computation of matching polynomials of graphs.
M. M. Balakrishnarajan and P.Venuvanalingam.
J. Chem. Inf. Comput. Sci. 1994, 34, 1122. [Full Text]
11. Learning Approach for the Computation of Generalized Wheland Polynomials of Chemical Graphs.
M. M. Balakrishnarajan and P. Venuvanalingam.
J. Chem. Inf. Comput. Sci. 1994, 34, 1113. [Full Text]
10. Topological Resonance Energy Predictions on Stabilities of Fullerene clusters.
M. Manoharan, M. M. Balakrishnarajan, P. Venuvanalingam and K. Balasubramanian
Chem. Phys. Lett. 1994, 222, 95. [Full Text]
9. Algorithms for the construction of molecular distance matrix and distance polynomial of chemical graphs on parallel computers.
P. Thangavel and P. Venuvanalingam.
J. Chem. Inf. Comp. Sci. 1993, 33, 412. [Full Text]
8. Symmetry types of normal modes of linear molecules.
P. Venuvanalingam and K. V. Raman.
Chemistry Education. 1992, 8, 10-14.
7. Parallel Algorithm for the computation of Characteristic Polynomials of Chemical Graphs.
P. Venuvanalingam and P. Thangavel.
J.Comput.Chem. 1991, 12, 779. [Full Text]
6. Calculation of MO energy levels of conjugated systems using graph theory.
S. Arumugam and P.Venuvanalingam.
Chemistry Education. 1988, 4, 22.
5. Cyclopolymerization initiated by peroxodisulfate ion and metal ion catalysis.
N. R. Subbaratnam, S. P. Manickam, P. Venuvanalingam and A. Gopalan.
J. Macromol. Sci.-Chem. A 1986, 23, 117. [Full Text]
4. Kinetics of polymerization of N, N’-methylenebisacrylamide initiated by permanganate-oxalic acid redox system.
A. Gopalan, P.Venuvanalingam, S. P. Manickam, K. Venkatarao and N.R.Subbaratnam.
Eur.Polym.J. 1982, 18, 531. [Full Text]
3. Molecular Complexes of p-benzoquinonechlorimides with aromatic Pi-donors.
P.Venuvanalingam, U. Chandra Singh and N. R. Subbaratnam.
Spectrochim. Acta. A, 1981, 37, 505. [Full Text]
2. Charge Transfer Spectra of complexes with benzoquinonechlorimide as electron acceptors.
P.Venuvanalingam, U. Chandra Singh and N. R. Subbaratnam.
Spectrochim. Acta. A 1981, 37, 1. [Full Text]
1. Semi-empirical MO calculations on the electronic spectra of benzoquinone- chlorimides.
P. Venuvanalingam, U. Chandra Singh, N. R. Subbaratnam and V. K. Kelkar.
Spectrochim .Acta. A, 1980, 36, 103. [Full Text]