Items where Author is "Subramanian, V."

Saha, Sujoy ; Singh, Ram Prakash ; Liu, Ying ; Swain, Atal Bihari ; Kumar, Amritesh ; Subramanian, V. ; Arockiarajan, A. ; Srinivasan, G. ; Ranjan, Rajeev (2021) Strain transfer in ferroelectric-ferrimagnetic magnetoelectric composite Physical Review B: Condensed Matter and Materials Physics, 103 (14). ISSN 2469-9950

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

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

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

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

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

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

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

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

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

Kiran, S. Roopas ; Babu, G. Santosh ; Narayana, Chandrabhas ; Murthy, V.R.K. ; Subramanian, V. (2013) Long range B-site cation ordering and Briet–Wigner–Fano line shape of A _1g-like Raman mode in Nd_1−xSm_xMg _0.5Ti_0.5O₃ microwave dielectric ceramics Materials Research Bulletin, 48 (2). pp. 194-199. ISSN 0025-5408

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

Kiran, S. Roopas ; Babu, G. Santosh ; Narayana, Chandrabhas ; Murthy, V. R. K. ; Subramanian, V. (2013) Long range B-site cation ordering and Briet–Wigner–Fano line shape of A_1g-like Raman mode in Nd_1−xSm_x(Mg_0.5Ti_0.5)O₃ microwave dielectric ceramics Materials Research Bulletin, 48 (2). pp. 194-199. ISSN 0025-5408

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

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

Kiran, S. Roopas ; Babu, G. Santosh ; Narayana, Chandrabhas ; Murthy, V.R.K. ; Subramanian, V. (2013) Long range B-site cation ordering and Briet–Wigner–Fano line shape of A1g-like Raman mode in Nd1−xSmx(Mg0.5Ti0.5)O3 microwave dielectric ceramics Materials Research Bulletin, 48 (2). pp. 194-199. ISSN 0025-5408

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

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

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

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

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

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

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

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). pp. 3057-3065. 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

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

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

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, 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

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

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

Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2009) Structure and stability of spiro-cyclic water clusters Journal of Chemical Sciences, 121 (5). pp. 839-848. ISSN 0253-4134

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

Vijayaraj, R. ; Subramanian, V. ; Chattaraj, P. K. (2009) Comparison of global descriptors calculated using various density functionals: a QSAR perspective Journal of Chemical Theory and Computation, 5 (10). pp. 2744-2753. ISSN 1549-9618

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

Prakash, M. ; Subramanian, V. ; Gadre, Shridhar R. (2009) Stepwise hydration of protonated carbonic acid: a theoretical study Journal of Physical Chemistry A, 113 (44). pp. 12260-12275. 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

Elango, M. ; Subramanian, V. ; Sathyamurthy, N. (2008) The self-assembly of metaboric acid molecules into bowls, balls and sheets Journal of Physical Chemistry A, 112 (35). pp. 8107-8115. ISSN 1089-5639

Roy, D. R. ; Bultinck, P. ; Subramanian, V. ; Chattaraj, P. K. (2008) Bonding, reactivity and aromaticity in the light of the multicenter indices Journal of Molecular Structure (Theochem), 854 (1-3). pp. 35-39. ISSN 0166-1280

De Proft, F. ; Chattaraj, P. K. ; Ayers, P. W. ; Torrent-Sucarrat, M. ; Elango, M. ; Subramanian, V. ; Giri, S. ; Geerlings, P. (2008) Initial hardness response and hardness profiles in the study of Woodward-Hoffmann rules for electrocyclizations Journal of Chemical Theory and Computation, 4 (4). pp. 595-602. ISSN 1549-9618

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

Elango, M. ; Subramanian, V. ; Rahalkar, Anuja P. ; Gadre, Shridhar R. ; Sathyamurthy, N. (2008) Structure, energetics, and reactivity of boric acid nanotubes: a molecular tailoring approach Journal of Physical Chemistry A, 112 (33). pp. 7699-7704. ISSN 1089-5639

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

Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. (2007) Hydrogen bonding in protonated water clusters: an atoms-in-molecules perspective Journal of Physical Chemistry A, 111 (51). pp. 13287-13290. ISSN 1089-5639

Roy, D. R. ; Pal, N. ; Mitra, A. ; Bultinck, P. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) An atom counting strategy towards analyzing the biological activity of sex hormones European Journal of Medicinal Chemistry, 42 (11-12). pp. 1365-1369. ISSN 0223-5234

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Chemical reactivity patterns of [n]paracyclophanes Journal of Molecular Structure (Theochem), 820 (1-3). pp. 1-6. ISSN 0166-1280

Chattaraj, P. K. ; Roy, D. R. ; Giri, S. ; Mukherjee, S. ; Subramanian, V. ; Parthasarathi, R. ; Bultinck, P. ; Van Damme, S. (2007) An atom counting and electrophilicity based QSTR approach Journal of Chemical Sciences, 119 (5). pp. 475-488. ISSN 0253-4134

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

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Philicity based Site Activation Model towards understanding the Markovnikov regioselectivity rule Journal of Molecular Structure (Theochem), 804 (1-3). pp. 17-20. ISSN 0166-1280

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2007) Electrophilicity-based charge transfer descriptor The Journal of Physical Chemistry A, 111 (7). pp. 1358-1361. ISSN 1089-5639

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

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

Padmanabhan, J. ; Parthasarathi, R. ; Elango, M. ; Subramanian, V. ; Krishnamoorthy, B. S. ; Gutierrez-Oliva, S. ; Toro-Labbe, A. ; Roy, D. R. ; Chattaraj, P. K. (2007) A multiphilic descriptor for chemical reactivity and selectivity Journal of Physical Chemistry A, 111 (37). pp. 9130-9138. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Chemical information insights into the series of chloroanisoles - A theoretical approach Journal of Molecular Structure (Theochem), 774 (1-3). pp. 49-57. ISSN 0166-1280

Roy, D. R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Nucleophilicity/electrophilicity excess in analyzing molecular electronics Indian Journal of Chemistry - Section A, 45 . pp. 2369-2380. ISSN 0376-4710

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Theoretical study on the complete series of chloroanilines The Journal of Physical Chemistry A, 110 (32). pp. 9900-9907. ISSN 1089-5639

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Chitra, K. ; Subramanian, V. ; Chattaraj, P. K. (2006) Pk_a prediction using group philicity Journal of Physical Chemistry A, 110 (20). pp. 6540-6544. ISSN 1089-5639

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Ramachandran, C. N. ; Sathyamurthy, N. (2006) Hydrogen peroxide clusters: the role of open book motif in cage and helical structures Journal of Physical Chemistry A, 110 (19). pp. 6294-6300. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Group philicity and electrophilicity as possible descriptors for modeling ecotoxicity applied to chlorophenols Chemical Research in Toxicology, 19 (3). pp. 356-364. ISSN 0893-228X

Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. (2006) Hydrogen bonding without borders: an atoms-in-molecules perspective Journal of Physical Chemistry A, 110 (10). pp. 3349-3351. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Chemical reactivity indices for the complete series of chlorinated benzenes: solvent effect Journal of Physical Chemistry A, 110 (8). pp. 2739-2745. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) QSPR models for polychlorinated biphenyls: n-Octanol/water partition coefficient Bioorganic & Medicinal Chemistry, 14 (4). pp. 1021-1028. ISSN 0968-0896

Chattaraj, P. K. ; Roy, D. R. ; Elango, M. ; Subramanian, V. (2006) Chemical reactivity descriptor based aromaticity indices applied to Al₄²⁻ and Al₄⁴⁻ systems Journal of Molecular Structure (Theochem), 759 (1-3). pp. 109-110. ISSN 0166-1280

Roy, D. R. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) An electrophilicity based analysis of toxicity of aromatic compounds towards tetrahymena pyriformis QSAR & Combinatorial Science, 25 (2). pp. 114-122. ISSN 0931-8771

Sarkar, U. ; Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Toxicity analysis of polychlorinated dibenzofurans through global and local electrophilicities Journal of Molecular Structure (Theochem), 758 (2-3). pp. 119-125. ISSN 0166-1280

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2006) Alkylation of enolates: an electrophilicity perspective International Journal of Quantum Chemistry, 106 (4). pp. 852-862. ISSN 0020-7608

Roy, D. R. ; Sarkar, U. ; Chattaraj, P. K. ; Mitra, A. ; Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Van Damme, S. ; Bultinck, P. (2006) Analyzing toxicity through electrophilicity Molecular Diversity, 10 (2). pp. 119-131. ISSN 1381-1991

Parthasarathi, R. ; Elango, M. ; Padmanabhan, J. ; Subramanian, V. ; Roy, D. R. ; Sarkar, U. ; Chattaraj, P. K. (2006) Application of quantum chemical descriptors in computational medicinal chemistry and chemoinformatics Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 45 (1). pp. 111-125. ISSN 0376-4710

Roy, D. R. ; Parthasarathi, R. ; Padmanabhan, J. ; Sarkar, U. ; Subramanian, V. ; Chattaraj, P. K. (2006) Careful scrutiny of the philicity concept Journal of Physical Chemistry A, 110 (03). pp. 1084-1093. 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

Chattaraj, P. K. ; Sarkar, U. ; Roy, D. R. ; Elango, M. ; Parthasarathi, R. ; Subramanian, V. (2006) Is electrophilicity a kinetic or a thermodynamic concept? Indian Journal of Chemistry - Section A: Inorganic, Physical, Theoretical and Analytical Chemistry, 45 (5). pp. 1099-1112. ISSN 0376-4710

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

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. ; Padmanabhan, J. ; Elango, M. ; Chitra, K. ; Subramanian, V. ; Chattaraj, P. K. (2006) pKa Prediction Using Group Philicity The Journal of Physical Chemistry A, 110 (20). pp. 6540-6544. ISSN 1089-5639

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2005) Chemical reactivity analysis on 33'44'55'-hexa chlorobiphenyl-A DFT approach Journal of Molecular Structure (Theochem), 730 (1-3). pp. 221-226. ISSN 0166-1280

Elango, M. ; Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. (2005) Bowls, balls and sheets of boric acid clusters: the role of pentagon and hexagon motifs Journal of Physical Chemistry A, 109 (38). pp. 8587-8593. ISSN 1089-5639

Sarkar, U. ; Roy, D. R. ; Chattaraj, P. K. ; Parthasarathi, R. ; Padmanabhan, J. ; Subramanian, V. (2005) A conceptual DFT approach towards analysing toxicity Journal of Chemical Sciences, 117 (5). pp. 599-612. ISSN 0253-4134

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. ; Parthasarathi, R. ; Subramanian, V. ; Sarkar, U. ; Chattaraj, P. K. (2005) Formaldehyde decomposition through profiles of global reactivity indices Journal of Molecular Structure (Theochem), 723 (1-3). pp. 43-52. ISSN 0166-1280

Roy, D. R. ; Parthasarathi, R. ; Maiti, B. ; Subramanian, V. ; Chattaraj, P. K. (2005) Electrophilicity as a possible descriptor for toxicity prediction Bioorganic & Medicinal Chemistry, 13 (10). pp. 3405-3412. ISSN 0968-0896

Parthasarathi, R. ; Subramanian, V. ; Sathyamurthy, N. (2005) Hydrogen bonding in phenol, water, and phenol-water clusters Journal of Physical Chemistry A, 109 (5). pp. 843-850. ISSN 1089-5639

Elango, M. ; Parthasarathi, R. ; Karthik Narayanan, G. ; Sabeelullah, A. Md. ; Sarkar, U. ; Venkatasubramaniyan, N. S. ; Subramanian, V. ; Chattaraj, P. K. (2005) Relationship between electrophilicity index, Hammett constant and nucleus-independent chemical shift Journal of Chemical Sciences, 117 (1). pp. 61-65. ISSN 0253-4134

Chattaraj, P. K. ; Sarkar, U. ; Parthasarathi, R. ; Subramanian, V. (2005) DFT study of some aliphatic amines using generalized philicity concept International Journal of Quantum Chemistry, 101 (6). pp. 690-702. ISSN 0020-7608

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

Padmanabhan, J. ; Parthasarathi, R. ; Subramanian, V. ; Chattaraj, P. K. (2005) Molecular structure, reactivity, and toxicity of the complete series of chlorinated benzenes The Journal of Physical Chemistry A, 109 (48). pp. 11043-11049. 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

Chattaraj, P. K. ; Roy, D. R. ; Elango, M. ; Subramanian, V. (2005) Stability and reactivity of all-metal aromatic and antiaromatic systems in light of the principles of maximum hardness and minimum polarizability Journal of Physical Chemistry A, 109 (42). pp. 9590-9597. ISSN 1089-5639

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. ; Elango, M. ; Subramanian, V. ; Chattaraj, P. K. (2005) Variation of electrophilicity during molecular vibrations and internal rotations Theoretical Chemistry Accounts: Theory, Computation, and Modeling / Theoretica Chimica Acta, 113 (5). pp. 257-266. ISSN 1432-881X

Parthasarathi, R. ; Subramanian, V. ; Roy, D. R. ; Chattaraj, P. K. (2004) Electrophilicity index as a possible descriptor of biological activity Bioorganic & Medicinal Chemistry, 12 (21). pp. 5533-5543. ISSN 0968-0896

Parthasarathi, R. ; Padmanabhan, J. ; Elango, M. ; Subramanian, V. ; Chattaraj, P. K. (2004) Intermolecular reactivity through the generalized philicity concept Chemical Physics Letters, 394 (4-6). pp. 225-230. ISSN 0009-2614

Parthasarathi, R. ; Padmanabhan, J. ; Subramanian, V. ; Maiti, B. ; Chattaraj, P. K. (2004) Toxicity analysis of 33'44'5-pentachloro biphenyl through chemical reactivity and selectivity profiles Current Science, 86 (4). pp. 535-542. ISSN 0011-3891

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, 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

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. ; Subramanian, V. ; Chattaraj, P. K. (2003) Effect of electric field on the global and local reactivity indices Chemical Physics Letters, 382 (1-2). pp. 48-56. ISSN 0009-2614

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

Parthasarathi, R. ; Padmanabhan, J. ; Subramanian, V. ; Maiti, B. ; Chattaraj, P. K. (2003) Chemical reactivity profiles of two selected polychlorinated biphenyls Journal of Physical Chemistry A, 107 (48). pp. 10346-10352. ISSN 1089-5639

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

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) Interaction of benzidine with DNA: experimental and modelling studies Chemical Physics Letters, 344 (1-2). pp. 40-48. 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. ; 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

Sivanesan, D. ; Babu, K. ; Gadre, Shridhar R. ; Subramanian, V. ; Ramasami, T. (2000) Does a stacked DNA base pair hydrate better than a hydrogen-bonded one? An ab initio study Journal of Physical Chemistry A, 104 (46). pp. 10887-10894. ISSN 1089-5639

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

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

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

Somanathan, N. ; Subramanian, V. ; Mandal, A. B. (1997) Thermal stability of modified caseins Thermochimica Acta, 302 (1-2). pp. 47-52. ISSN 0040-6031

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

Basu, Sujit ; Subramanian, V. ; Pandey, P. C. (1993) The variational technique of data assimilation using adjoint equations in a shallow water model Proceedings of the Indian Academy of Sciences - Earth and Planetary Sciences, 102 (4). pp. 521-536. ISSN 0253-4126

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

Subramanian, V. ; Sugumaran, M. ; Vaidyanathan, C. S. (1979) Anthranilate hydroxylase, an iron enzyme, from Aspergillus niger Indian Journal of Biochemistry & Biophysics, 16 (6). pp. 370-374. ISSN 0301-1208.

De, S. S. ; Subramanian, V. (1947) The processing of maize to improve its value as an article of human food Current Science, 16 (6). p. 173. ISSN 0011-3891