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Aravindhan, Rathinam ; Monika, Venkatachalam ; Balamurugan, Kanagasabai ; Subramanian, Venkatesan ; Rao, Jonnalagadda Raghava ; Thanikaivelan, Palanisamy (2017) Highly clean and efficient enzymatic dehairing in green solvents Journal of Cleaner Production, 140 (3). pp. 1578-1586. ISSN 0959-6526

Muvva, Charuvaka ; Patra, Sanjukta ; Venkatesan, Subramanian (2016) MMpI: A widerange of available compounds of matrix metalloproteinase inhibitors PLoS One, 11 (8). Article ID e0159321. ISSN 1932-6203

Prakash, M. ; Subramanian, V. (2016) Ab initio and density functional theory (DFT) studies on triflic acid with water and protonated water clusters Journal of Molecular Modeling, 22 (12). No pp. given. ISSN 1610-2940

Kumar, P. Shyam Vinod ; Raghavendra, V. ; Subramanian, V. (2016) Bader’s theory of atoms in molecules (AIM) and its applications to chemical bonding Journal of Chemical Sciences, 128 (10). pp. 1527-1536. ISSN 0974-3626

SambathKumar, B. ; Varathan, E. ; Subramanian, V. ; Somanathan, N. (2016) Design of medium band gap random terpolymers containing fluorene linked diketopyrrolopyrrole and thiophene co-monomers: an experimental and theoretical study New Journal of Chemistry, 40 (2). pp. 1377-1386. ISSN 1144-0546

Kamaraj, M. ; Sundar, J. Vijaya ; Subramanian, V. (2016) Dioxin sensing properties of graphene and hexagonal boron nitride based van der Waals solids: a first-principles study RSC Advances, 6 (108). pp. 107114-107126. ISSN 2046-2069

Subramanian, Sundar Raman ; Singam, Ettayapuram Ramaprasad Azhagiya ; Berinski, Michael ; Subramanian, Venkatesan ; Wade, Rebecca C. (2016) Identification of an electrostatic ruler motif for sequence-specific binding of collagenase to collagen The Journal of Physical Chemistry B, 120 (33). pp. 8580-8589. ISSN 1520-6106

Mudedla, Sathish Kumar ; Balamurugan, Kanagasabai ; Kamaraj, Manoharan ; Subramanian, Venkatesan (2016) Interaction of nucleobases with silicon doped and defective silicon doped graphene and optical properties Physical Chemistry Chemical Physics, 18 (1). pp. 295-309. ISSN 1463-9076

Arunan, E. ; Jemmis, E. D. ; Subramanian, V. (2016) One hundred years of Lewis Chemical Bond! Journal of Chemical Sciences, 128 (10). pp. 1517-1518. ISSN 0974-3626

Ajantha, Joseph ; Varathan, Elumalai ; Bharti, Vishal ; Subramanian, Venkatesan ; Easwaramoorthi, Shanmugam ; Chand, Suresh (2016) Photophysical and charge transport properties of pyrazolines RSC Advances, 6 (1). pp. 786-795. ISSN 2046-2069

Varathan, E. ; Vijay, Dolly ; Subramanian, V. (2016) Quantum chemical design of carbazole- and pyridoindole-based ambipolar host materials for blue phosphorescent OLEDs RSC Advances, 6 (78). pp. 74769-74784. ISSN 2046-2069

Gopalsamy, K. ; Subramanian, V. (2016) Role of alkaline earth metal cations in improving the hydrogen-storage capacity of polyhydroxy adamantane: a DFT study The Journal of Physical Chemistry C, 120 (36). pp. 19932-19941. ISSN 1932-7447

Ravindran, Ezhakudiyan ; Varathan, Elumalai ; Subramanian, Venkatesan ; Somanathan, Narayanasastri (2016) Self-assembly of a white-light emitting polymer with aggregation induced emission enhancement using simplified derivatives of tetraphenylethylene Journal of Materials Chemistry C, 4 (34). pp. 8027-8040. ISSN 2050-7526

Sankar, Ulaganathan ; Surya Kumar, Ch. Venkata ; Subramanian, V. ; Balasubramanian, K. K. ; Mahalakshimi, S. (2016) Stereo-, regio-, and chemoselective [3 + 2]-cycloaddition of (2E,4E)-ethyl 5-(phenylsulfonyl)penta-2,4-dienoate with various azomethine ylides, nitrones, and nitrile oxides: synthesis of pyrrolidine, isoxazolidine, and isoxazoline derivatives and a computational study The Journal of Organic Chemistry, 81 (6). pp. 2340-2354. ISSN 0022-3263

Sambathkumar, B. ; Kumar, P. Shyam Vinod ; Saurav, K. ; Iyer, S. Sundar Kumar ; Subramanian, V. ; Somanathan, N. (2016) Structure–properties relationship in diketopyrrolopyrrole based small molecules using functional terminal side chains via direct arylation: a joint experimental and theoretical study New Journal of Chemistry, 40 (4). pp. 3803-3811. ISSN 1144-0546

SambathKumar, B. ; Shyam Vinod Kumar, P. ; Deepakrao, F. Shantanu ; Kumar Iyer, S. Sundar ; Subramanian, V. ; Datt, Ram ; Gupta, Vinay ; Chand, Suresh ; Somanathan, N. (2016) Two donor–one acceptor random terpolymer comprised of diketopyrrolopyrrole quaterthiophene with various donor π-linkers for organic photovoltaic application The Journal of Physical Chemistry C, 120 (47). pp. 26609-26619. ISSN 1932-7447

Mudedla, S. K. ; Balamurugan, K. ; Subramanian, V. (2016) Unravelling the structural changes in α-helical peptides on interaction with convex, concave, and planar surfaces of boron-nitride-based nanomaterials The Journal of Physical Chemistry C, 120 (49). pp. 28246-28260. ISSN 1932-7447

Bejoymohandas, K. S. ; Kumar, Ajay ; Sreenadh, S. ; Varathan, E. ; Varughese, S. ; Subramanian, V. ; Reddy, M. L. P. (2016) A highly selective chemosensor for cyanide derived from a formyl-functionalized phosphorescent iridium(III) complex Inorganic Chemistry, 55 (7). pp. 3448-3461. ISSN 0020-1669

Nulakani, Naga Venkateswara Rao ; Subramanian, Venkatesan (2016) A theoretical study on the design, structure, and electronic properties of novel forms of graphynes The Journal of Physical Chemistry C, 120 (28). pp. 15153-15161. ISSN 1932-7447

Nulakani, Naga Venkateswara Rao ; Baskar, Prathab ; Patra, Abhay Shankar ; Subramanian, Venkatesan (2015) Adsorption of guanidinium collectors on aluminosilicate minerals – a density functional study Physics Chemical Chemistry Physics, 17 (37). pp. 23805-23815. ISSN 1463-9076

Tramontano, Anna ; Ettayapuram Ramaprasad, Azhagiya Singam ; Singh, Sandeep ; Gajendra, P. S. Raghava ; Venkatesan, Subramanian (2015) AntiAngioPred: A server for prediction of anti-angiogenic peptides PLoS One, 10 (9). Article ID e0136990. ISSN 1932-6203

Rao Nulakani, Naga Venkateswara ; Kamaraj, Manoharan ; Subramanian, Venkatesan (2015) Coro-graphene and circumcoro-graphyne: novel two-dimensional materials with exciting electronic properties RSC Advances, 5 (96). pp. 78910-78916. ISSN 2046-2069

Hemamalini, Arasappan ; Azhagiya Singam, Ettayapuram Ramaprasad ; Mudedla, Sathish Kumar ; Subramanian, Venkatesan ; Mohan Das, Thangamuthu (2015) Design and synthesis of sugar-triazole based uracil appended sugar-imine derivatives – an application in DNA binding studies New Journal of Chemistry, 39 (6). pp. 4575-4582. ISSN 1144-0546

Hemamalini, Arasappan ; Mudedla, Sathish Kumar ; Subramanian, Venkatesan ; Mohan Das, Thangamuthu (2015) Design, synthesis and metal sensing studies of ether-linked bis-triazole derivatives New Journal of Chemistry, 39 (5). pp. 3777-3784. ISSN 1144-0546

Baweja, Lokesh ; Balamurugan, Kanagasabai ; Subramanian, Venkatesan ; Dhawan, Alok (2015) Effect of graphene oxide on the conformational transitions of amyloid beta peptide: A molecular dynamics simulation study Journal of Molecular Graphics and Modelling, 61 . pp. 175-185. ISSN 1093-3263

Mudedla, S. K. ; Singam, E. R. Azhagiya ; Vijay Sundar, J. ; Pedersen, Morten N. ; Murugan, N. Arul ; Kongsted, Jacob ; Agren, Hans ; Subramanian, V. (2015) Enhancement of internal motions of lysozyme through interaction with gold nanoclusters and its optical imaging The Journal of Physical Chemistry C, 119 (1). pp. 653-664. ISSN 1932-7447

Jeyaraj, Vijaya Sundar ; Kamaraj, M. ; Subramanian, V. (2015) Generalized reaction mechanism for the selective aerobic oxidation of aryl and alkyl alcohols over nitrogen-doped graphene The Journal of Physical Chemistry C, 119 (47). pp. 26438-26450. ISSN 1932-7447

Gopalakrishnan, R. ; Azhagiya Singam, E. R. ; Vijaya Sundar, J. ; Subramanian, V. (2015) Interaction of collagen like peptides with gold nanosurfaces: a molecular dynamics investigation Physical Chemistry Chemical Physics, 17 (7). pp. 5172-5186. ISSN 1463-9076

Bejoymohandas, K. S. ; Kumar, Arunandan ; Varughese, S. ; Varathan, E. ; Subramanian, V. ; Reddy, M. L. P. (2015) Photophysical and electroluminescence properties of bis(2′,6′-difluoro-2,3′-bipyridinato-N,C4′)iridium(picolinate) complexes: effect of electron-withdrawing and electron-donating group substituents at the 4′ position of the pyridyl moiety of the cyclometalated ligand Journal of Material Chemistry C, 3 (28). pp. 7405-7420. ISSN 2050-7526

Parthasarathi, Ramakrishnan ; Balamurugan, Kanagasabai ; Shi, Jian ; Subramanian, Venkatesan ; Simmons, Blake A. ; Singh, Seema (2015) Theoretical insights into the role of water in the dissolution of cellulose using IL/water mixed solvent systems The Journal of Physical Chemistry B, 119 (45). pp. 14339-14349. ISSN 1520-6106

Ravindran, Ezhakudiyan ; Ananthakrishnan, Soundaram Jeevarathinam ; Varathan, Elumalai ; Subramanian, Venkatesan ; Somanathan, Narayanasastri (2015) White light emitting single polymer from aggregation enhanced emission: a strategy through supramolecular assembly Journal of Materials Chemistry C, 3 (17). pp. 4359-4371. ISSN 2050-7526

Chakraborty, Debashis ; Mandal, Dipa ; Ramkumar, Venkatachalam ; Subramanian, V. ; Vijaya Sundar, J. (2015) A new class of MPV type reduction in group 4 alkoxide complexes of salicylaldiminato ligands: Efficient catalysts for the ROP of lactides, epoxides and polymerization of ethylene Polymer, 56 . pp. 157-170. ISSN 0032-3861

Azhagiya Singam, E. R. ; Rajapandian, V. ; Subramanian, V. (2014) Molecular dynamics simulation study on the interaction of collagen-like peptides with gelatinase-A (MMP-2) Biopolymers, 101 (7). pp. 779-794. ISSN 0006-3525

Mudedla, S. K. ; Balamurugan, K. ; Subramanian, V. (2014) Computational study on the interaction of modified nucleobases with graphene and doped graphenes The Journal of Physical Chemistry C, 118 (29). pp. 16165-16174. ISSN 1932-7447

Manikandamathavan, V. M. ; Weyhermüller, T. ; Parameswari, R. P. ; Sathishkumar, M. ; Subramanian, V. ; Nair, Balachandran Unni (2014) DNA/protein interaction and cytotoxic activity of imidazole terpyridine derived Cu(ii)/Zn(ii) metal complexes Dalton Transactions, 43 (34). pp. 13018-13031. ISSN 1477-9226

Kalva, Sukesh ; Azhagiya Singam, E. R. ; Rajapandian, V. ; Saleena, Lilly M. ; Subramanian, V. (2014) Discovery of potent inhibitor for matrix metalloproteinase-9 by pharmacophore based modeling and dynamics simulation studies Journal of Molecular Graphics and Modelling, 49 . pp. 25-37. ISSN 1093-3263

Balamurugan, Kanagasabai ; Baskar, Prathab ; Kumar, Ravva Mahesh ; Das, Sumitesh ; Subramanian, Venkatesan (2014) Effects of functionalization of carbon nanotubes on their dispersion in an ethylene glycol–water binary mixture – a molecular dynamics and ONIOM investigation Physical Chemistry Chemical Physics, 16 (44). pp. 24509-24518. ISSN 1463-9076

Gopalsamy, K. ; Subramanian, V. (2014) Hydrogen storage capacity of alkali and alkaline earth metal ions doped carbon based materials: A DFT study International Journal of Hydrogen Energy, 39 (6). pp. 2549-2559. ISSN 0360-3199

Velmurugan, Punitha ; Singam, Ettayapuram Ramaprasad Azhagiya ; Jonnalagadda, Raghava Rao ; Subramanian, Venkatesan (2014) Investigation on interaction of tannic acid with type I collagen and its effect on thermal, enzymatic, and conformational stability for tissue engineering applications Biopolymers, 101 (5). pp. 471-483. ISSN 0006-3525

Ananthakrishnan, Soundaram Jeevarathinam ; Varathan, Elumalai ; Somanathan, Narayanasastri ; Subramanian, Venkatesan ; Mandal, Asit Baran ; Sudha, Janardanan D. ; Ramakrishnan, Rajaraman (2014) Offsetting the problem of charge trapping in white polymer light-emitting diodes using a fluorenone-based luminogen Journal of Materials Chemistry C, 2 (42). pp. 9035-9044. ISSN 2050-7526

Varathan, E. ; Vijay, Dolly ; Subramanian, V. (2014) Rational design of carbazole- and carboline-based ambipolar host materials for blue electrophosphorescence: a density functional theory study The Journal of Physical Chemistry C, 118 (38). pp. 21741-21754. ISSN 1932-7447

Muvva, Charuvaka ; Singam, E. R. Azhagiya ; Raman, S. Sundar ; Subramanian, V. (2014) Structure-based virtual screening of novel, high-affinity BRD4 inhibitors Molecular BioSystems, 10 (9). pp. 2384-2397. ISSN 1742-206X

Mathew, Ammu ; Natarajan, Ganapati ; Lehtovaara, Lauri ; Häkkinen, Hannu ; Kumar, Ravva Mahesh ; Subramanian, Venkatesan ; Jaleel, Abdul ; Pradeep, Thalappil (2014) Supramolecular functionalization and concomitant enhancement in properties of Au₂₅ clusters ACS Nano, 8 (1). pp. 139-152. ISSN 1936-0851

Shi, Jian ; Balamurugan, Kanagasabai ; Parthasarathi, Ramakrishnan ; Sathitsuksanoh, Noppadon ; Zhang, Sonny ; Stavila, Vitalie ; Subramanian, Venkatesan ; Simmons, Blake A. ; Singh, Seema (2014) Understanding the role of water during ionic liquid pretreatment of lignocellulose: co-solvent or anti-solvent? Green Chemistry, 16 (8). pp. 3830-3840. ISSN 1463-9262

Ananthakrishnan, Soundaram J. ; Varathan, E. ; Subramanian, V. ; Somanathan, N. ; Mandal, Asit B. (2014) White light emitting polymers from a luminogen with local polarity induced enhanced emission The Journal of Physical Chemistry C, 118 (48). pp. 28084-28094. ISSN 1932-7447

Sree Latha, R. ; Vijayaraj, R. ; Padmanabhan, J. ; Azhagiya Singam, E. R. ; Chitra, K. ; Subramanian, V. (2013) 3D-QSAR studies on the biological activity of juvenile hormone mimetic compounds for Culex pipiens Larvae Medicinal Chemistry Research, 22 (12). pp. 5948-5960. ISSN 1054-2523

Pan, Sudip ; Jalife, Said ; Kumar, R. Mahesh ; Subramanian, Venkatesan ; Merino, Gabriel ; Chattaraj, Pratim K. (2013) Structure and stability of (NG)_nCN₃Be₃⁺ clusters and comparison with (NG)BeY^0/+ ChemPhysChem, 14 (11). pp. 2511-2517. ISSN 1439-4235

Balamurugan, Kanagasabai ; Subramanian, Venkatesan (2013) Length-dependent stability of α-helical peptide upon adsorption to single-walled carbon nanotube Biopolymers, 99 (6). pp. 357-369. ISSN 0006-3525

Balamurugan, K. ; Subramanian, V. (2013) Adsorption of chlorobenzene onto (5,5) armchair single-walled carbon nanotube and graphene sheet: toxicity versus adsorption strength The Journal of Physical Chemistry C, 117 (41). pp. 21217-21227. ISSN 1932-7447

Varathan, E. ; Vijay, Dolly ; Vinod Kumar, P. Shyam ; Subramanian, V. (2013) Computational design of high triplet energy host materials for phosphorescent blue emitters Journal of Materials Chemistry C, 1 (27). pp. 4261-4274. ISSN 2050-7526

Baweja, Lokesh ; Balamurugan, Kanagasabai ; Subramanian, Venkatesan ; Dhawan, Alok (2013) Hydration patterns of graphene-based nanomaterials (GBNMs) play a major role in the stability of a helical protein: a molecular dynamics simulation study Langmuir, 29 (46). pp. 14230-14238. ISSN 0743-7463

Kumar, R. Mahesh ; Baskar, Prathab ; Balamurugan, K. ; Das, Sumitesh ; Subramanian, V. (2013) Interaction of ethylene glycol–water clusters with aromatic surfaces RSC Advances, 3 (21). pp. 7798-7807. ISSN 2046-2069

Rajalakshmi, Subramaniyam ; Kiran, Manikantan Syamala ; Vaidyanathan, Vaidyanathan Ganesan ; Azhagiya Singam, Ettyapuram Ramaprasad ; Subramaniam, Venkatesan ; Nair, Balachandran Unni (2013) Investigation of nuclease, proteolytic and antiproliferative effects of copper(II) complexes of thiophenylmethanamine derivatives European Journal of Medicinal Chemistry, 70 . pp. 280-293. ISSN 0223-5234

Ramakrishnan, C. ; Subramanian, V. ; Balamurugan, K. ; Velmurugan, D. (2013) Molecular dynamics simulations of retinoblastoma protein Journal of Biomolecular Structure & Dynamics, 31 (11). pp. 1277-1292. ISSN 0739-1102

Vijaya Sundar, J. ; Subramanian, V. (2013) Novel chemistry for the selective oxidation of benzyl alcohol by graphene oxide and N-doped graphene Organic Letters, 15 (23). pp. 5920-5923. ISSN 1523-7060

Vijay, Dolly ; Varathan, E. ; Subramanian, V. (2013) Theoretical design of core modified (oxa and thia) porphyrin based organic dyes with bridging thiophene linkers Journal of Materials Chemistry A, 1 (13). pp. 4358-4369. ISSN 2050-7488

Vijayaraj, Ramadoss ; Van Damme, Sofie ; Bultinck, Patrick ; Subramanian, Venkatesan (2013) Theoretical studies on the transport mechanism of 5-fluorouracil through cyclic peptide based nanotubes Physical Chemistry Chemical Physics, 15 (4). pp. 1260-1270. ISSN 1463-9076

Ravinder, P. ; Subramanian, V. (2013) Thermo neutral S_N2 reaction within pristine and stone–wales defective BNNTs and CNTs The Journal of Physical Chemistry C, 117 (10). pp. 5095-5100. ISSN 1932-7447

Ananthakrishnan, Soundaram Jeevarathinam ; Varathan, Elumalai ; Ravindran, Ezhakudiyan ; Somanathan, Narayanasastri ; Subramanian, Venkatesan ; Mandal, Asit Baran ; Sudha, Janardanan D. ; Ramakrishnan, Rajaraman (2013) A solution processable fluorene–fluorenone oligomer with aggregation induced emission enhancement Chemical Communications, 49 (91). pp. 10742-10744. ISSN 1359-7345

Singam, Ettayapuram Ramaprasad Azhagiya ; Balamurugan, Kanagasabai ; Gopalakrishnan, Ravimohan ; Subramanian, Sundar Raman ; Subramanian, Venkatesan ; Ramasami, Thirumalachari (2012) Molecular dynamic simulation studies on the effect of one residue chain staggering on the structure and stability of heterotrimeric collagen-like peptides with interruption Biopolymers, 97 (11). pp. 847-863. ISSN 0006-3525

Vijayaraj, Ramadoss ; Lakshmi Vasavi Devi, Mekapothula ; Subramanian, Venkatesan ; Chattaraj, Pratim Kumar (2012) 3D-QSAR studies on the inhibitory activity of trimethoprim analogues against Escherichia coli dihydrofolate reductase Chemical Biology & Drug Design, 79 (6). pp. 935-942. ISSN 1747-0277

Giri, Santanab ; Chakraborty, Arindam ; Duley, Soma ; Merino, Gabriel ; Subramanian, Venkatesan ; Chattaraj, Pratim Kumar (2012) Analysis of the structure, bonding, aromaticity and existence of possible bond-stretch isomerism in trigonal anionic metal clusters, X_¯3(X = Be,Mg,Ca) In: Conference Proceedings.

Gopalsamy, K. ; Prakash, M. ; Mahesh Kumar, R. ; Subramanian, V. (2012) Density functional studies on the hydrogen storage capacity of boranes and alanes based cages International Journal of Hydrogen Energy, 37 (12). pp. 9730-9741. ISSN 0360-3199

Ravinder, P. ; Subramanian, V. (2012) Density functional theory studies on the Diels–Alder reaction of [3]dendralene with C₆₀: an attractive approach for functionalization of fullerene Theoretical Chemistry Accounts, 131 (4). No pp. given. ISSN 1432-881X

Manikandamathavan, Verasuntharam M. ; Rajapandian, Varatharaj ; Freddy, Allen J. ; Weyhermüller, Thomas ; Subramanian, Venkatesan ; Nair, Balachandran Unni (2012) Effect of coordinated ligands on antiproliferative activity and DNA cleavage property of three mononuclear Cu(II)-terpyridine complexes European Journal of Medicinal Chemistry, 57 . pp. 449-458. ISSN 0223-5234

Ravinder, P. ; Subramanian, V. (2012) Fullerene based endohedral metallocenes Computational and Theoretical Chemistry, 998 . pp. 106-112. ISSN 2210-271X

Kumar, R. Mahesh ; Sundar, J. Vijaya ; Subramanian, V. (2012) Improving the hydrogen storage capacity of metal organic framework by chemical functionalization International Journal of Hydrogen Energy, 37 (21). pp. 16070-16077. ISSN 0360-3199

Balamurugan, K. ; Baskar, Prathab ; Mahesh Kumar, R. ; Das, Sumitesh ; Subramanian, Venkatesan (2012) Interaction of carbon nanotube with ethylene glycol–water binary mixture: a molecular dynamics and density functional theory investigation The Journal of Physical Chemistry C, 116 (7). pp. 4365-4373. ISSN 1932-7447

Vijaya Sundar, J. ; Subramanian, V. (2012) Mechanistic studies on the pH-controllable hydrogenation of NAD⁺ by H₂ and generation of H₂ from NADH by a water-soluble biomimetic iridium complex Organometallics, 31 (24). pp. 8525-8536. ISSN 0276-7333

Vijayaraj, R. ; Van Damme, S. ; Bultinck, P. ; Subramanian, V. (2012) Molecular dynamics and umbrella sampling study of stabilizing factors in cyclic peptide-based nanotubes The Journal of Physical Chemistry B, 116 (33). pp. 9922-9933. ISSN 1520-6106

Kumar, R. Mahesh ; Baskar, Prathab ; Balamurugan, K. ; Das, Sumitesh ; Subramanian, V. (2012) On the perturbation of the H-bonding interaction in ethylene glycol clusters upon hydration The Journal of Physical Chemistry A, 116 (17). pp. 4239-4247. ISSN 1089-5639

Mareeswaran, Paulpandian Muthu ; Prakash, Muthuramalingam ; Subramanian, Venkatesan ; Rajagopal, Seenivasan (2012) Recognition of aromatic amino acids and proteins with p-sulfonatocalix[4]arene - a luminescence and theoretical approach Journal of Physical Organic Chemistry, 25 (12). pp. 1217-1227. ISSN 0894-3230

Ravinder, P. ; Subramanian, V. (2012) Role of encapsulation of Na⁺ and F^-ions on the diels–alder reactivity of C₃₂ The Journal of Physical Chemistry A, 116 (25). pp. 6870-6878. ISSN 1089-5639

Ravinder, P. ; Subramanian, V. (2012) Stone–wales transformation in double-walled carbon nanotubes and the role of inner tube The Journal of Physical Chemistry C, 116 (32). pp. 16815-16822. ISSN 1932-7447

Vijayaraj, Ramadoss ; Van Damme, Sofie ; Bultinck, Patrick ; Subramanian, Venkatesan (2012) Structure and stability of cyclic peptide based nanotubes: a molecular dynamics study of the influence of amino acid composition Physical Chemistry Chemical Physics, 14 (43). pp. 15135-15144. ISSN 1463-9076

Ravinder, P. ; Kumar, R. Mahesh ; Subramanian, V. (2012) Studies on the encapsulation of F^– in single walled nanotubes of different chiralities using density functional theory calculations and car–parrinello molecular dynamics simulations The Journal of Physical Chemistry A, 116 (23). pp. 5519-5528. ISSN 1089-5639

Vijay, Dolly ; Sakurai, Hidehiro ; Subramanian, V. ; Sastry, G. Narahari (2012) Where to bind in buckybowls? The dilemma of a metal ion Physical Chemistry Chemical Physics, 14 (9). p. 3057. ISSN 1463-9076

Kumar, R. Mahesh ; Elango, M. ; Parthasarathi, V. ; Vijay, Dolly ; Subramanian, V. (2012) The role C-H... π interaction in the stabilization of benzene and adamantane clusters Journal of Chemical Sciences, 124 (1). pp. 193-202. ISSN 0253-4134

Indumathy, Ramasamy ; Weyhermüller, Thomas ; Rajapandian, V. ; Subramanian, Venkatesan ; Nair, Balachandran Unni (2012) An unusual oxidation of the imidazolyl ring in a cobalt terpyridyl complex: crystal structure and photonuclease activity of the transformed cobalt terpyridyl complex Polyhedron, 43 (1). pp. 159-169. ISSN 0277-5387

Sree Latha, Ramaswamy ; Vijayaraj, Ramadoss ; Azhagiya Singam, Ettayapuram Ramaprasad ; Chitra, Krishnaswamy ; Subramanian, Venkatesan (2011) 3D-QSAR and docking studies on the HEPT derivatives of HIV-1 reverse transcriptase Chemical Biology & Drug Design, 78 (3). pp. 418-426. ISSN 1747-0277

Baweja, Lokesh ; Gurbani, Deepak ; Shanker, Rishi ; Pandey, Alok K. ; Subramanian, V. ; Dhawan, Alok (2011) C₆₀-Fullerene binds with the ATP binding domain of human DNA topoiosmerase II alpha Journal of Biomedical Nanotechnology, 7 (1). pp. 177-178. ISSN 1550-7033

Gopalakrishnan, R. ; Subramanian, V. (2011) Interaction of collagen with carbon nanotube: a molecular dynamics investigation Journal of Biomedical Nanotechnology, 7 (1). pp. 186-187. ISSN 1550-7033

Gopalakrishnan, Ravimohan ; Balamurugan, Kanagasabai ; Singam, Ettayapuram Ramaprasad Azhagiya ; Sundaraman, Subramanian ; Subramanian, Venkatesan (2011) Adsorption of collagen onto single walled carbon nanotubes: a molecular dynamics investigation Physical Chemistry Chemical Physics, 13 (28). pp. 13046-13057. ISSN 1463-9076

Prakash, M. ; Elango, M. ; Subramanian, V. (2011) Adsorption of hydrogen molecules on the alkali metal ion decorated boric acid clusters: a density functional theory investigation International Journal of Hydrogen Energy, 36 (6). pp. 3922-3931. ISSN 0360-3199

Rajapandian, V. ; Subramanian, V. (2011) Calculations on the structure and spectral properties of cytochrome c₅₅₁ using DFT and ONIOM methods The Journal of Physical Chemistry A, 115 (13). pp. 2866-2876. ISSN 1089-5639

Subramanian, V. (2011) Changes in the conformation of α-helical peptides adsorbed onto the carbon nanotube Journal of Biomedical Nanotechnology, 7 (1). pp. 87-88. ISSN 1550-7033

Hakkim, V. ; Rajapandian, V. ; Subramanian, V. (2011) Density functional theory investigations of the catalytic mechanism of β-carbonic anhydrase Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 50A . pp. 503-510. ISSN 0376-4710

Kumar, R. Mahesh ; Elango, M. ; Parthasarathi, R. ; Subramanian, V. (2011) Density functional theory studies on ice nanotubes The Journal of Physical Chemistry A, 115 (45). pp. 12841-12851. ISSN 1089-5639

Balamurugan, K. ; Singam, E. R. Azhagiya ; Subramanian, V. (2011) Effect of curvature on the α-helix breaking tendency of carbon based nanomaterials The Journal of Physical Chemistry C, 115 (18). pp. 8886-8892. ISSN 1932-7447

Rajaganesh, Ramanathan ; Ravinder, Pawar ; Subramanian, Venkatesan ; Mohan Das, Thangamuthu (2011) FACE-selective fluorogenic cycloaddition reaction between coumarin azides and sugar terminal alkynes: an experimental and computational study Carbohydrate Research, 346 (15). pp. 2327-2336. ISSN 0008-6215

Mahesh Kumar, R. ; Subramanian, V. (2011) Interaction of H₂ with fragments of MOF-5 and its implications for the design and development of new MOFs: a computational study International Journal of Hydrogen Energy, 36 (17). pp. 10737-10747. ISSN 0360-3199

Balamurugan, K. ; Subramanian, V. (2011) Interaction of polyalanine α-helix with carbon nanotube Journal of Biomedical Nanotechnology, 7 (1). pp. 89-90. ISSN 1550-7033

Kumar, R. Mahesh ; Subramanian, V. (2011) Quantum mechanical studies on interaction of carbohydrate with nanomaterials Journal of Biomedical Nanotechnology, 7 (1). pp. 188-190. ISSN 1550-7033

S. Sundar, Raman ; Gopalakrishnan, R. ; Wade, R. C. ; Subramanian, V. (2011) Structural basis for the varying propensities of different amino acids to adopt the collagen conformation The Journal of Physical Chemistry B, 115 (11). pp. 2593-2607. ISSN 1520-6106

Prakash, Muthuramalingam ; Subramanian, Venkatesan (2011) Structure, stability and spectral signatures of monoprotic carborane acid–water clusters (CBW_n, where n = 1–6) Physical Chemistry Chemical Physics, 13 (48). pp. 21479-21486. ISSN 1463-9076

Ravinder, Pawar ; Subramanian, Venkatesan (2011) Studies on the encapsulation of various anions in different fullerenes using density functional theory calculations and born–oppenheimer molecular dynamics simulation The Journal of Physical Chemistry A, 115 (42). pp. 11723-11733. ISSN 1089-5639

Prakash, M. ; Gopalsamy, K. ; Subramanian, V. (2011) Studies on the structure, stability, and spectral signatures of hydride ion-water clusters The Journal of Chemical Physics, 135 (21). Article ID 214308. ISSN 0021-9606

Gupta, Ashutosh Kumar ; Chakraborty, Arindam ; Giri, Santanab ; Subramanian, Venkatesan ; Chattaraj, Pratim (2011) Toxicity of halogen, sulfur and chlorinated aromatic compounds: a quantitative-structure-toxicity-relationship (QSTR) International Journal of Chemoinformatics and Chemical Engineering, 1 (1). pp. 61-74. ISSN 2155-4110

Hemamalini, Arasappan ; Nagarajan, Subbiah ; Ravinder, Pawar ; Subramanian, Venkatesan ; Mohan Das, Thangamuthu (2011) An easy access to novel sugar-based spirooxindole-pyrrolidines or -pyrrolizidines through [3+2] cycloaddition of azomethine ylides Synthesis, 2011 (15). pp. 2495-2504. ISSN 0039-7881

Edwardraja, Selvakumar ; Neelamegam, Rameshkumar ; Ramadoss, Vijayaraj ; Venkatesan, Subramanian ; Lee, Sun-Gu (2010) Redesigning of anti-c-met single chain Fv antibody for the cytoplasmic folding and its structural analysis Biotechnology and Bioengineering, 106 (3). pp. 367-375. ISSN 0006-3592

Mandal, Abhishek ; Prakash, Muthuramalingam ; Kumar, Ravva Mahesh ; Parthasarathi, Ramakrishnan ; Subramanian, Venkatesan (2010) Ab initio and DFT studies on methanol−water clusters The Journal of Physical Chemistry A, 114 (6). pp. 2250-2258. ISSN 1089-5639

Kumar, R. Mahesh ; Elango, M. ; Subramanian, V. (2010) Carbohydrate-aromatic interactions: the role of curvature on XH···π interactions The Journal of Physical Chemistry A, 114 (12). pp. 4313-4324. ISSN 1089-5639

Kumar, K. Karthik ; Kumar, R. Mahesh ; Subramanian, V. ; Das, T. Mohan (2010) Expedient synthesis of coumarin-coupled triazoles via 'click chemistry' leading to the formation of coumarin–triazole–sugar hybrids Carbohydrate Research, 345 (16). pp. 2297-2304. ISSN 0008-6215

Balamurugan, K. ; Gopalakrishnan, R. ; Raman, S. Sundar ; Subramanian, V. (2010) Exploring the changes in the structure of α-helical peptides adsorbed onto a single walled carbon nanotube using classical molecular dynamics simulation Journal of Physical Chemistry B, 114 (44). pp. 14048-14058. ISSN 1520-6106

Rajapandian, V. ; Hakkim, V. ; Subramanian, V. (2010) Molecular dynamics studies on native, loop-contracted, and metal ion-substituted azurins The Journal of Physical Chemistry B, 114 (25). pp. 8474-8486. ISSN 1520-6106

Ramakrishnan, C. ; Subramanian, V. ; Velmurugan, D. (2010) Molecular dynamics study of secretory phospholipase A₂ of russell’s viper and bovine pancreatic sources The Journal of Physical Chemistry B, 114 (42). pp. 13463-13472. ISSN 1520-6106

Nagarajan, Subbiah ; Ravinder, Pawar ; Subramanian, Venkatesan ; Mohan Das, Thangamuthu (2010) Protecting group/halogen effect of N-glycosylamines on the self assembly of organogelator New Journal of Chemistry, 34 (1). pp. 123-131. ISSN 1144-0546

Hakkim, V. ; Subramanian, V. (2010) Role of second coordination sphere amino acid residues on the proton transfer mechanism of human carbonic anhydrase II (HCA II) The Journal of Physical Chemistry A, 114 (30). pp. 7952-7959. ISSN 1089-5639

Vijayaraj, R. ; Sundar Raman, S. ; Mahesh Kumar, R. ; Subramanian, V. (2010) Studies on the structure and stability of cyclic peptide based nanotubes using oligomeric approach: a computational chemistry investigation The Journal of Physical Chemistry B, 114 (49). pp. 16574-16583. ISSN 1520-6106

Ravinder, P. ; Subramanian, V. (2010) Substitution effects of diborane on the interaction with borazine (inorganic benzene) The Journal of Physical Chemistry A, 114 (17). pp. 5565-5572. ISSN 1089-5639

Prakash, M. ; Samy, K. Gopal ; Subramanian, V. (2009) Benzene−water (BZW_n(n= 1 − 10)) clusters The Journal of Physical Chemistry A, 113 (50). pp. 13845-13852. ISSN 1089-5639

Kapur, Ashish ; Kumar, Kamal ; Singh, Lakhwinder ; Singh, Parminder ; Elango, Munusamy ; Subramanian, Venkatesan ; Gupta, Vivek ; Kanwal, Priyanka ; Ishar, Mohan Paul S. (2009) Domino routes to substituted benzoindolizines: tandem reorganization of 1,3-dipolar cycloadducts of nitrones with allenic esters/ketones and alternative cycloaddition–palladium catalyzed cyclization pathway Tetrahedron, 65 (23). pp. 4593-4603. ISSN 0040-4020

Punitha, V. ; Raman, S. Sundar ; Parthasarathi, R. ; Subramanian, V. ; Rao, J. Raghava ; Nair, Balachandran Unni ; Ramasami, T. (2009) Molecular dynamics investigations on the effect of D amino acid substitution in a triple-helix structure and the stability of collagen Journal of Physical Chemistry B, 113 (26). pp. 8983-8992. ISSN 1520-6106

Rajapandian, V. ; Raman, S. Sundar ; Hakkim, V. ; Parthasarathi, R. ; Subramanian, V. (2009) Molecular mechanics and molecular dynamics study on azurin using extensible and systematic force field (ESFF) Journal of Molecular Structure: Theochem, 907 (1-3). pp. 1-8. ISSN 0166-1280

Kumar, K. Karthik ; Elango, M. ; Subramanian, V. ; Das, T. Mohan (2009) Novel saccharide–pyridine based gelators: selective gelation and diversity in superstructures New Journal of Chemistry, 33 (7). pp. 1570-1577. ISSN 1144-0546

Rajapandian, V. ; Hakkim, V. ; Subramanian, V. (2009) ONIOM calculation on azurin: effect of metal ion substitutions Journal of Physical Chemistry A, 113 (30). pp. 8615-8625. ISSN 1089-5639

Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2009) Structure and stability of water chains (H₂O)_n,n= 5−20† The Journal of Physical Chemistry A, 113 (16). pp. 3744-3749. ISSN 1089-5639

Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. (2008) Electron density topography, NMR, and NBO analysis of water clusters Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry, 38 (1). pp. 18-27. ISSN 1553-3174

Raman, S. Sundar ; Vijayaraj, R. ; Parthasarathi, R. ; Subramanian, V. (2008) Helix forming tendency of valine substituted poly-alanine: a molecular dynamics investigation The Journal of Physical Chemistry B, 112 (30). pp. 9100-9104. ISSN 1520-6106

Raman, S. Sundar ; Parthasarathi, R. ; Subramanian, V. ; Ramasami, T. (2008) Role of length-dependent stability of collagen-like peptides The Journal of Physical Chemistry B, 112 (5). pp. 1533-1539. ISSN 1520-6106

Singh, Lakhwinder ; Singh Ishar, M. P. ; Elango, Munusamy ; Subramanian, Venkatesan ; Gupta, Vivek ; Kanwal, Priyanka (2008) Synthesis of unsymmetrical substituted 1,4-dihydropyridines through thermal and microwave assisted [4+2] cycloadditions of 1-azadienes and allenic esters The Journal of Organic Chemistry, 73 (6). pp. 2224-2233. ISSN 0022-3263

Raman, S. Sundar ; Vijayaraj, R. ; Parthasarathi, R. ; Subramanian, V. ; Ramasami, T. (2008) A molecular dynamics analysis of ion pairs formed by lysine in collagen: implication for collagen function and stability Journal of Molecular Structure: THEOCHEM, 851 (1-3). pp. 299-312. ISSN 0166-1280

Gupta, K. ; Roy, D.R. ; Subramanian, V. ; Chattaraj, P.K. (2007) Are strong Brønsted acids necessarily strong Lewis acids? Journal of Molecular Structure: THEOCHEM, 812 (1-3). pp. 13-24. ISSN 0166-1280

Parthasarathi, R. ; Raman, S. Sundar ; Subramanian, V. ; Ramasami, T. (2007) Bader's electron density analysis of hydrogen bonding in secondary structural elements of protein The Journal of Physical Chemistry A, 111 (30). pp. 7141-7148. ISSN 1089-5639

Prathab, B. ; Subramanian, V. ; Aminabhavi, T.M. (2007) Computation of surface energy and surface segregation phenomena of perfluorinated copolymers and blends – A molecular modeling approach Polymer, 48 (1). pp. 417-424. ISSN 0032-3861

Prathab, B. ; Subramanian, V. ; Aminabhavi, T.M. (2007) Molecular dynamics simulations to investigate polymer–polymer and polymer–metal oxide interactions Polymer, 48 (1). pp. 409-416. ISSN 0032-3861

Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. ; Leszczynski, Jerzy (2007) Solvation of H₃O⁺ by phenol: hydrogen bonding vs π complexation The Journal of Physical Chemistry A, 111 (1). pp. 2-5. ISSN 1089-5639

Prathab, B. ; Aminabhavi, T. M. ; Parthasarathi, R. ; Subramanian, V. (2006) Computation of density of perfluoroalkyl methacrylates: a molecular modeling approach Theoretical Chemistry Accounts, 117 (1). pp. 167-169. ISSN 1432-881X

Parthasarathi, R. ; Subramanian, V. (2006) Hydrogen bonding of DNA base pairs and information entropy: From molecular electron density perspective Chemical Physics Letters, 418 (4-6). pp. 530-534. ISSN 0009-2614

Prathab, B. ; Aminabhavi, Tejraj M. ; Parthasarathi, R. ; Manikandan, P. ; Subramanian, V. (2006) Molecular modeling and atomistic simulation strategies to determine surface properties of perfluorinated homopolymers and their random copolymers Polymer, 47 (19). pp. 6914-6924. ISSN 0032-3861

Radhakrishnan, S. ; Parthasarathi, R. ; Subramanian, V. ; Somanathan, N. (2006) Molecular orbital calculations on polythiophenes containing heterocyclic substituents: effect of structure on electronic transitions The Journal of Physical Chemistry B, 110 (29). pp. 14078-14086. ISSN 1520-6106

Paul Singh Ishar, Mohan ; Singh, Gurpinder ; Elango, Munusamy ; Subramaniam, Venkatesan (2006) Regio- and exo-π-facial selective 1,3-dipolar cycloaddition of α-(3-pyridyl)-N-phenylnitrone to norbornadiene: activation of a π-bond of norbornadiene and control of regiochemistry of nitrone cycloaddition by nitrone addition to the other double bond Heterocycles, 68 (7). pp. 1409-1419. ISSN 0385-5414

Raman, S. Sundar ; Parthasarathi, R. ; Subramanian, V. ; Ramasami, T. (2006) Role of aspartic acid in collagen structure and stability: a molecular dynamics investigation The Journal of Physical Chemistry B, 110 (41). pp. 20678-20685. ISSN 1520-6106

Usha, R. ; Raman, S. Sundar ; Subramanian, V. ; Ramasami, T. (2006) Role of polyols (erythritol, xylitol and sorbitol) on the structural stabilization of collagen Chemical Physics Letters, 430 (4-6). pp. 391-396. ISSN 0009-2614

Radhakrishnan, S. ; Parthasarathi, R. ; Subramanian, V. ; Somanathan, N. (2006) Structure and properties of polythiophene containing hetero aromatic side chains Computational Materials Science, 37 (3). pp. 318-322. ISSN 0927-0256

Parthasarathi, R. ; Subramanian, V. (2005) Stacking interactions in benzene and cytosine dimers: from molecular electron density perspective Structural Chemistry, 16 (3). pp. 243-255. ISSN 1040-0400

Elango, M. ; Subramanian, V. (2005) Density functional theoretical investigation on influence of heterosubstitution and benzannelation on the thermal 6π electrocyclization of cis-cyclononatetraene The Journal of Physical Chemistry A, 109 (51). pp. 11870-11877. ISSN 1089-5639

Radhakrishnan, S. ; Parthasarathi, R. ; Subramanian, V. ; Somanathan, N. (2005) Quantum chemical studies on polythiophenes containing heterocyclic substituents: effect of structure on the band gap The Journal of Chemical Physics, 123 (16). Article ID 164905. ISSN 0021-9606

Madhan, B. ; Subramanian, V. ; Rao, J. Raghava ; Nair, Balachandran Unni ; Ramasami, T. (2005) Stabilization of collagen using plant polyphenol: role of catechin International Journal of Biological Macromolecules, 37 (1-2). pp. 47-53. ISSN 0141-8130

Parthasarathi, R. ; Amutha, R. ; Subramanian, V. ; Nair, Balachandran Unni ; Ramasami, T. (2004) Bader's and reactivity descriptors' analysis of DNA base pairs The Journal of Physical Chemistry A, 108 (17). pp. 3817-3828. ISSN 1089-5639

Padmanabhan, J ; Parthasarathi, R ; Sarkar, U ; Subramanian, V ; Chattaraj, P.K (2004) Effect of solvation on the condensed Fukui function and the generalized philicity index Chemical Physics Letters, 383 (1-2). pp. 122-128. ISSN 0009-2614

Parthasarathi, K. ; Subramanian, V. (2004) Molecular dynamics studies on phenol– water clusters Internet Electronic Journal of Molecular Design, 3 (10). pp. 610-621. ISSN 1538-6414

Radhakrishnan, S. ; Subramanian, V. ; Somanathan, N. (2004) Structure–optical, thermal properties studies on thiophene containing benzothiazole groups Organic Electronics, 5 (5). pp. 227-235. ISSN 1566-1199

Parthasarathi, R. ; Madhan, B. ; Subramanian, V. ; Ramasami, T. (2003) Ab initio and density functional theory based studies on collagen triplets Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 110 (1). pp. 19-27. ISSN 1432-881X

Madhan, B ; Parthasarathi, R ; Subramanian, V ; Raghava Rao, J ; Nair, Balachandran Unni ; Ramasami, T (2003) Density functional theory calculations on dipeptide–gallic acid interaction Chemical Physics Letters, 369 (1-2). pp. 131-138. ISSN 0009-2614

Madhan, B. ; Dhathathreyan, Aruna ; Subramanian, V. ; Ramasami, T. (2003) Investigations on geometrical features in induced ordering of collagen by small molecules Journal of Chemical Sciences, 115 (5-6). pp. 751-766. ISSN 0253-4134

Radhakrishnan, S. ; Subramanian, V. ; Somanathan, N. ; Srinivasan, K. S. V. ; Ramasami, T. (2003) Synthesis, structure and band Gapof novel thiophene based conductive polymers Molecular Crystals and Liquid Crystals, 390 (1). pp. 113-120. ISSN 1542-1406

Asirvatham, P. Samuel ; Subramanian, V. ; Balakrishnan, R. ; Ramasami, T. (2003) Theoretical prediction of ¹³C NMR chemical shifts of polymers using oligomeric approach Macromolecules, 36 (3). pp. 921-927. ISSN 0024-9297

Thanikaivelan, P. ; Padmanabhan, J. ; Subramanian, V. ; Ramasami, T. (2002) Chemical reactivity and selectivity using Fukui functions: basis set and population scheme dependence in the framework of B₃LYP theory Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 107 (6). pp. 326-335. ISSN 1432-881X

Amutha, R. ; Subramanian, V. ; Nair, B. U. (2002) Role of twisting and sliding on the solvation of a stacked cytosine dimer: an ab initio study Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta), 107 (6). pp. 343-350. ISSN 1432-881X

Vijayalakshmi, R. ; Dhathathreyan, A. ; Subramanian, V. ; Nair, Balachandran Unni (2002) Synergistic effects of adsorption and interaction of DNA with mixed monolayers of anionic amphiphile and chromium(III) complexes Chemical Physics Letters, 355 (5-6). pp. 431-437. ISSN 0009-2614

Vaidyanathan, Vaidyanathan Ganesan ; Vijayalakshmi, Rajamanickam ; Subramanian, Venkatesan ; Nair, Balachandran Unni (2002) Synthesis, characterization, and binding of [Cr(naphen)(H₂O)₂]⁺ with DNA: experimental and modeling study Bulletin of the Chemical Society of Japan, 75 (5). pp. 1143-1149. ISSN 0009-2673

Vijayalakshmi, R. ; Subramanian, V. ; Nair, Balachandran Unni (2002) A study of the interaction of Cr(III) complexes and their selective binding with B-DNA: a molecular modeling approach Journal of Biomolecular Structure and Dynamics, 19 (6). pp. 1063-1071. ISSN 0739-1102

Amutha, R ; Subramanian, V ; Unni Nair, Balachandran (2001) Free energy calculation for DNA bases in various solvents using Flory–Huggins theory Chemical Physics Letters, 335 (5-6). pp. 489-495. ISSN 0009-2614

Amutha, R. ; Subramanian, V. ; Unni Nair, Balachandran (2001) Interaction of benzidine with DNA: experimental and modelling studies Chemical Physics Letters, 344 (1-2). pp. 40-48. ISSN 0009-2614

Madhan, B ; Thanikaivelan, P ; Subramanian, V ; Raghava Rao, J ; Unni Nair, Balachandran ; Ramasami, T (2001) Molecular mechanics and dynamics studies on the interaction of gallic acid with collagen-like peptides Chemical Physics Letters, 346 (3-4). pp. 334-340. ISSN 0009-2614

Subramanian, V. ; Samuel Asirvatham, P. ; Balakrishnan, R. ; Ramasami, T. (2001) Molecular mechanics studies on polypropylene and polymethylmethacrylate polymers Chemical Physics Letters, 342 (5-6). pp. 603-609. ISSN 0009-2614

Sivanesan, D ; Subramanian, V ; Unni Nair, B (2001) Quantification of reactive sites in DNA bases using condensed Fukui functions Journal of Molecular Structure: Theochem, 544 (1-3). pp. 123-139. ISSN 0166-1280

Sivanesan, D. ; Subramanian, V. ; Nair, B. U. (2001) Solvent effect on DNA base stacked dimers: an isodensity polarizable continuum model approach International Journal of Quantum Chemistry, 84 (6). pp. 750-758. ISSN 0020-7608

Thanikaivelan, P. ; Subramanian, V. ; Raghava Rao, J. ; Unni Nair, Balachandran (2000) Application of quantum chemical descriptor in quantitative structure activity and structure property relationship Chemical Physics Letters, 323 (1-2). pp. 59-70. ISSN 0009-2614

Vijayalakshmi, Rajamanickam ; Kanthimathi, Mookandi ; Subramanian, Venkatesan ; Nair, Balachandran Unni (2000) DNA cleavage by a chromium(III) complex Biochemical and Biophysical Research Communications, 271 (3). pp. 731-734. ISSN 0006-291X

Sivanesan, D. ; Subramanian, V. ; Nair, Balachandran Unni ; Ramasami, T. (2000) Effect of water continuum on the interaction energy of DNA base- pairs: a Hartree-Fock self-consistent reaction field study Indian Journal of Chemistry, 39A (1-3). pp. 132-138. ISSN 0376-4710

Vijayalakshmi, R ; Kanthimathi, Mookandi ; Subramanian, Venkatesan ; Nair, Balachandran Unni (2000) Interaction of DNA with [Cr(Schiff base)(H₂O)₂]ClO₄ Biochimica et Biophysica Acta (BBA) - General Subjects, 1475 (2). pp. 157-162. ISSN 0304-4165

Ramamoorthy, Usha ; Subramanian, V. ; Ramasami, T. (1999) Viscoelastic behaviour of formaldehyde and basic chromium sulfate crossliked collagen Journal of Applied Polymer Science, 71 (13). pp. 2245-2251. ISSN 0021-8995

Subramanian, V. ; Chitra, K. ; Sivanesan, D. ; Amutha, R. ; Sankar, S. (1999) Ab initio potential energy surface of the Ne…CO complex Chemical Physics Letters, 307 (5-6). pp. 493-496. ISSN 0009-2614

Sivanesan, D. ; Amutha, R. ; Subramanian, V. ; Nair, B.U. ; Ramasami, T. (1999) Assessment of the importance of the solvent in the calculation of condensed Fukui function: a self-consistent reaction field calculation study Chemical Physics Letters, 308 (3-4). pp. 223-228. ISSN 0009-2614

Vijayalakshmi, R. ; Dhathathreyan, A. ; Kanthimathi, M. ; Subramanian, V. ; Nair, Balachandran Unni ; Ramasami, T. (1999) Penetration of DNA into mixed monolayers of 1,3-Bis(salicylideneamino)propanechromium(III) perchlorate and ctadecylamine at an air/water interface Langmuir, 15 (8). pp. 2898-2900. ISSN 0743-7463

Subramanian, V. ; Chitra, K. ; Sivanesan, D. ; Renuka, M. ; Sankar, S. ; Ramasami, T. (1998) Comparison of conventional ab initio and density functional methods for the ArHF interaction potential Journal of Molecular Structure: THEOCHEM, 431 (1-2). pp. 181-183. ISSN 0166-1280

Subramanian, V. ; Sivanesan, D. ; Ramasami, T. (1998) Electronic structure of Ne–H–Cl and Ne–Cl–H using the G1, G2 and MP4 methods Chemical Physics Letters, 295 (4). pp. 312-316. ISSN 0009-2614

Subramanian, V. ; Sivanesan, D. ; Amutha, R. ; Padmanabhan, J. ; Ramasami, T. (1998) Hardness profile of interaction of H–F with He, Ne and Ar: a density functional and MP2 calculation Chemical Physics Letters, 294 (4-5). pp. 285-291. ISSN 0009-2614

Rajan, Ramalingam ; Subramanian, Venkatesan ; Nair, Balachandran Unni ; Ramasami, Thirumalachari (1998) Molecular mechanics calculation of Titanium(IV) schiff-base complexes Bulletin of the Chemical Society of Japan, 71 (6). pp. 1293-1298. ISSN 0009-2673

Subramanian, V. ; Sivanesan, D. ; Ramasami, T. (1998) The role of solvent on the base stacking properties of the stacked cytosine dimer Chemical Physics Letters, 290 (1-3). pp. 189-192. ISSN 0009-2614

Subramanian, V. ; Chitra, K. ; Venkatesh, K. ; Sanker, S. ; Ramasami, T. (1997) Comparative study on the vibrational IR spectra of cytosine and thiocytosine by various semi-empirical quantum mechanical methods Chemical physics letters, 264 (1-2). pp. 92-100. ISSN 0009-2614

Subramanian, V. ; Venkatesh, K. ; Prabha, D.Mary ; Ramasami, T. (1997) Density functional calculations of Van der Waals clusters: NeN₂⁺ as a case study Chemical physics letters, 276 (1-2). pp. 9-12. ISSN 0009-2614

Subramanian, V. ; Shankaranarayanan, C. ; Nair, Balachandran Unni ; Kanthimathi, M. ; Manickkavachagam, R. ; Ramasami, T. (1997) Development of a force field for some copper(II) Schiff-base complexes Chemical Physics Letters, 274 (1-3). pp. 275-280. ISSN 0009-2614

Subramanian, V. ; Vijayakumar, M. ; Ramasami, T. (1993) Calculation of charge transfer energies and ionization potentials of MoS₄²⁻ and WS₄²⁻ complexes using the multiple scattering Xα method Journal of Molecular Structure: Theochem, 284 (1-2). pp. 157-162. ISSN 0166-1280

Subramanian, V. ; Vijayakumar, M. ; Ramasami, T. (1991) Ionization energy calculations of MCl₄ (M = Ti, Zr and Hf)-type molecules by the MS Xα method Chemical Physics Letters, 182 (3-4). pp. 232-236. ISSN 0009-2614

Naresh, M. D. ; Subramanian, V. ; Arumugam, V. ; Sanjeevi, R. (1991) A study on the mechanism of failure in keratin Colloid & Polymer Science, 269 (6). pp. 590-594. ISSN 0303-402X