biblio

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2014
V. Venkatesh, Pachfule, P., Banerjee, R., and Verma, S., “Evolution of an adenine-copper cluster to a highly porous cuboidal framework: solution-phase ripening and gas-adsorption properties”, Chemistry-A European Journal, vol. 20, no. 38, pp. 12262-12268, 2014.
V. Venkatesh, Pachfule, P., Banerjee, R., and Verma, S., “Evolution of an adenine-copper cluster to a highly porous cuboidal framework: solution-phase ripening and gas-adsorption properties”, Chemistry-A European Journal, vol. 20, no. 38, pp. 12262-12268, 2014.
S. P. Joshi and Vaval, N., “Extended coupled cluster method for potential energy surface: a decoupled approach”, Chemical Physics Letters, vol. 612, pp. 209-213, 2014.
K. Rao Vankudoth, Penugonda, S., Sivadevuni, G., and Reddy, S. M., “Factors influence on growth, don and niv production by two species of fusarium isolated from finger millets [eleusine coracana l.]”, International Journal of Pharmacy and Pharmaceutical Sciences, vol. 6, no. 11, pp. 312-317, 2014.
S. Vinayasree, Soloman, M. A., Sunny, V., Mohanan, P., Kurian, P., Joy, P. Alias, and Anantharaman, M. R., “Flexible microwave absorbers based on barium hexaferrite, carbon black, and nitrile rubber for 2-12 GHz applications”, Journal of Applied Physics, vol. 116, no. 2, p. 024902, 2014.
C. Voirin, Caillol, S., Sadavarte, N. V., Tawade, B. V., Boutevin, B., and Wadgaonkar, P. P., “Functionalization of cardanol: towards biobased polymers and additives”, Polymer Chemistry, vol. 5, no. 9, pp. 3142-3162, 2014.
P. R. Sharma and Varma, A., “Functionalized celluloses and their nanoparticles: morphology, thermal properties, and solubility studies”, Carbohydrate Polymers, vol. 104, no. 1, pp. 135-142, 2014.
A. Ghosh and Vaval, N., “Geometry-dependent lifetime of Interatomic coulombic decay using equation-of-motion coupled cluster method”, Journal of Chemical Physics, vol. 141, no. 23, p. Article No. 234108, 2014.
S. Singh Negi, Venugopalan, A. Thareparam, Raja, T., Singh, A. Pal, and Gopinath, C. S., “Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst”, RSC Advances, vol. 4, no. 100, pp. 57087-57097, 2014.
A. Kumar Dutta, Manohar, P. Uday, Vaval, N., and Pal, S., “Ground state of naphthyl cation: singlet or triplet?”, Journal of Chemical Physics, vol. 140, no. 11, p. 114312, 2014.
R. V. Nair, Vijayadas, K. N., Roy, A., and Sanjayan, G. J., “Heterogeneous foldamers from aliphatic-aromatic amino acid building blocks: current trends and future prospects”, European Journal of Organic Chemistry, vol. 46, no. 9, pp. 7763-7780, 2014.
S. Iwama, Kuyama, K., Mori, Y., Manoj, K., Gonnade, R. G., Suzuki, K., Hughes, C. E., P. Williams, A., Harris, K. D. M., Veesler, S., Takahashi, H., Tsue, H., and Tamura, R., “Highly efficient chiral resolution of DL-arginine by cocrystal formation followed by recrystallization under preferential-enrichment conditions”, Chemistry-A European Journal, vol. 20, no. 33, pp. 10343-10350, 2014.
S. H. Chikkali, van der Vlugt, J. Ivar, and Reek, J. N. H., “Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation”, Coordination Chemistry Reviews, vol. 262, pp. 1-15, 2014.
H. Prakash Veluswamy, Kumar, R., and Linga, P., “Hydrogen storage in clathrate hydrates: Current state of the art and future directions”, Applied Energy, vol. 122, pp. 112-132, 2014.
V. T. Natarajan, Ganju, P., Singh, A., Vijayan, V., Kirty, K., Yadav, S., Puntambekar, S., Bajaj, S., Dani, P. P., Kar, H. K., Gadgil, C. J., Natarajan, K., Rani, R., and Gokhale, R. S., “IFN-gamma signaling maintains skin pigmentation homeostasis through regulation of melanosome maturation”, Proceedings of the National Academy of Sciences of the United States of America, vol. 111, no. 6, pp. 2301-2306, 2014.
K. Rao Vankudoth, “Influence of different species of Penicillium and their culture filtrates on seed germination and seedling growth of sorghum”, Journal of Biochemical Technology, vol. 5, no. 4, pp. 832 - 837, 2014.
A. Kumar Dutta, Gupta, J., Vaval, N., and Pal, S., “Intermediate hamiltonian fock space multireference coupled cluster approach to core excitation spectra”, Journal of Chemical Theory and Computation, vol. 10, no. 9, pp. 3656-3668, 2014.
V. T. Humne, Dangat, Y. B., Vanka, K., and Lokhande, P., “Iodine-catalyzed aromatization of tetrahydrocarbazoles and its utility in the synthesis of glycozoline and murrayafoline A: a combined experimental and computational investigation”, Organic & Biomolecular Chemistry, vol. 12, no. 27, pp. 4832-4836, 2014.
M. Karthikeyan and Vyas, R., “Machine learning methods in chemoinformatics for drug discovery”, in Practical Chemoinformatics, Springer, 2014, pp. 133-194.
Ruby, Kumar, R. J. Santosh, Vishwakarma, R. K., Singh, S., and Khan, B. Mohammad, “Molecular cloning and characterization of genistein 4'-O-glucoside specific glycosyltransferase from Bacopa monniera”, Molecular Biology Reports, vol. 41, no. 7, pp. 4675-4688, 2014.
T. Palaniselvam, Valappil, M. Ozhukil, Illathvalappil, R., and Kurungot, S., “Nanoporous graphene by quantum dots removal from graphene and its conversion to a potential oxygen reduction electrocatalyst via nitrogen doping”, Energy & Environmental Science, vol. 7, no. 7, pp. 1059-1067, 2014.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., “Nature of the active site in ziegler-natta olefin polymerization catalysis systems - a computational investigation”, European Journal of Inorganic Chemistry, no. 29, pp. 5063-5076, 2014.
N. Kuriakose and Vanka, K., “New insights into small molecule activation by acyclic silylenes: a computational investigation”, Dalton Transactions, vol. 43, no. 5, pp. 2194-2201, 2014.
R. Mukherji, Varshney, N. Kumar, Panigrahi, P., Suresh, C. G., and Prabhune, A., “New role for penicillin acylases: degradation of acyl homoserine lactone quorum sensing signals by Kluyvera citrophila penicillin G acylase”, Enzyme and Microbial Technology , vol. 56, pp. 1-7, 2014.
B. R. Iyengar, Choudhary, A., Sarangdhar, M. A., Venkatesh, K. V., Gadgil, C. J., and Pillai, B., “Non-coding RNA interact to regulate neuronal development and function”, Frontiers in Cellular Neuroscience, vol. 8, p. 47, 2014.
S. Verma, Kumar, A., Pravarthana, D., Deshpande, A., Ogale, S. B., and Yusuf, S. M., “Off-stoichiometric nickel cobaltite nanoparticles: thermal stability, magnetization, and neutron diffraction studies”, Journal of Physical Chemistry C, vol. 118, no. 29, pp. 16246-16254, 2014.
S. Singh, Venugopalan, V., and Krishnamoorthy, K., “Organic soluble and uniform film forming oligoethylene glycol substituted BODIPY small molecules with improved hole mobility”, Physical Chemistry Chemical Physics, vol. 16, no. 26, pp. 13376-13382, 2014.
A. Kumar Dutta, Gupta, J., Pathak, H., Vaval, N., and Pal, S., “Partitioned EOMEA-MBPT(2): an efficient N-5 scaling method for calculation of electron affinities”, Journal of Chemical Theory and Computation, vol. 10, no. 5, pp. 1923-1933, 2014.
R. Vyas, Goel, P., Karthikeyan, M., Tambe, S. S., and Kulkarni, B. D., “Pharmacokinetic modeling of caco-2 cell permeability using genetic programming (GP) method”, Letters in Drug Design & Discovery, vol. 11, no. 9, pp. 1112-1118, 2014.
M. V. Mane and Vanka, K., “Proposing efficient new pendant group polymer electrolyte membranes for fuel cells: a computational study”, Journal of Physical Chemistry C, vol. 118, no. 2, pp. 784-795, 2014.
P. Sacheti, Patil, R., Dube, A., Bhonsle, H. S., Thombre, D., Marathe, S., Vidhate, R., Wagh, P., Kulkarni, M. J., Rapole, S., and Gade, W. N., “Proteomics of arsenic stress in the gram-positive organism Exiguobacterium sp PS NCIM 5463”, Applied Microbiology and Biotechnology, vol. 98, no. 15, pp. 6761-6773, 2014.
A. Kumar, Rani, A., Venkatesu, P., and Kumar, A., “Quantitative evaluation of the ability of ionic liquids to offset the cold-induced unfolding of proteins”, Physical Chemistry Chemical Physics, vol. 16, no. 30, pp. 15806-15810, 2014.
G. R. Salunke, Ghosh, S., Kumar, R. J. Santosh, Khade, S., Vashisth, P., Kale, T. S., Chopade, S., Pruthi, V., Kundu, G., Bellare, J. R., and Chopade, B. Ananda, “Rapid efficient synthesis and characterization of silver, gold, and bimetallic nanoparticles from the medicinal plant plumbago zeylanica and their application in biofilm control”, International Journal of Nanomedicine, vol. 9, pp. 2635-2653, 2014.
H. Pathak, Sahoo, B. K., Das, B. P., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method: application to closed-shell atomic systems”, Physical Review Applied, vol. 89, no. 4, p. 042510, 2014.
H. Pathak, Ghosh, A., Sahoo, B. K., Das, B. P., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method for the double-ionization potentials of closed-shell atoms”, Physical Review A, vol. 90, no. 1, p. Article No. 010501, 2014.
H. Pathak, Sasmal, S., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster method for the ionization problem: application to molecules”, Physical Review A, vol. 90, no. 6, p. Article No. 062501, 2014.
A. Rana, Lu, H., Bogle, K. A., Zhang, Q., Vasudevan, R., Thakare, V., Gruverman, A., Ogale, S., and Valanoor, N., “Scaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures”, Advanced Functional Materials, vol. 24, no. 25, pp. 3962-3969, 2014.
A. Rana, Lu, H., Bogle, K. A., Zhang, Q., Vasudevan, R., Thakare, V., Gruverman, A., Ogale, S., and Valanoor, N., “Scaling behavior of resistive switching in epitaxial bismuth ferrite heterostructures”, Advanced Functional Materials, vol. 24, no. 25, pp. 3962-3969, 2014.
K. M. Patil, Naik, R. J., Vij, M., Yadav, A. K., Kumar, V. A., Ganguli, M., and Fernandes, M., “Second generation, arginine-rich (R-X `-R)(4)-type cell-penetrating alpha-omega-alpha-peptides with constrained, chiral omega-amino acids (X `) for enhanced cargo delivery into cells”, Bioorganic & Medicinal Chemistry Letters, vol. 24, no. 17, pp. 4198-4202, 2014.
R. John, Shinde, D. B., Liu, L., Ding, F., Xu, Z., Vijayan, C., Pillai, V. K., and Pradeep, T., “Sequential electrochemical unzipping of single-walled carbon nanotubes to graphene ribbons revealed by in situ Raman spectroscopy and imaging”, ACS Nano, vol. 8, no. 1, pp. 234-242, 2014.
S. Verma, Das, A., and Ghosh, H. N., “Size quantization effects on interfacial electron transfer dynamics in Ru(II)-polypyridyl complex sensitized ZnO QDs”, Journal of Physical Chemistry C, vol. 118, no. 49, pp. 28898-28905, 2014.
P. Sonawane, Vishwakarma, R. Kishore, Singh, S., Gaikwad, S. M., and Khan, B. Mohammad, “Steady state fluorescence studies of wild type recombinant cinnamoyl CoA reductase (Ll-CCRH1) and its active site mutants”, Journal of Fluorescence, vol. 24, no. 3, pp. 665-673, 2014.
A. Prakash Sunda, Dhavale, V. M., Kurungot, S., and Venkatnathan, A., “Structure and dynamics of benzyl-NX3 (X = Me, Et) trifluoromethanesulfonate ionic liquids”, Journal of Physical Chemistry B, vol. 118, no. 7, pp. 1831-1838, 2014.
S. Sreedhal, Sudheeshkumar, V., and Vinod, C. P., “Structure sensitive chemical reactivity by palladium concave nanocubes and nanoflowers synthesised by a seed mediated procedure in aqueous medium”, Nanoscale, vol. 6, no. 13, pp. 7496-7502, 2014.
A. Kumar Dutta, Dar, M., Vaval, N., and Pal, S., “Structure, stability, and properties of the trans peroxo nitrate radical: the importance of nondynamic correlation”, Journal of Physical Chemistry A, vol. 118, no. 8, pp. 1350-1362, 2014.
P. R. Sharma, Rajamohanan, P. R., and Varma, A., “Supramolecular transitions in native cellulose-I during progressive oxidation reaction leading to quasi-spherical nanoparticles of 6-carboxycellulose”, Carbohydrate Polymers, vol. 113, pp. 615-623, 2014.
M. Vedi Kuyil Azhagan, Vaishampayan, M. V., and Shelke, M. V., “Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites”, Journal of Materials Chemistry A, vol. 2, no. 7, pp. 2152-2159, 2014.
M. Vedi Kuyil Azhagan, Vaishampayan, M. V., and Shelke, M. V., “Synthesis and electrochemistry of pseudocapacitive multilayer fullerenes and MnO2 nanocomposites (vol 2, pg 2152, 2014)”, Journal of Materials Chemistry A, vol. 2, no. 40, p. 17186, 2014.
V. A. Bharathan, Raj, G. K., Joy, P. Alias, and Vinod, C. P., “Synthesis and reactivity of magnetically diverse Au@ Ni core-shell nanostructures”, Particle & Particle Systems Characterization, vol. 31, no. 2, pp. 236-244, 2014.
M. Kumar, Kumar, A., Rizvi, M., Mane, M., Vanka, K., Taneja, S. C., and Shah, B. Ali, “Synthesis of alpha,beta-unsaturated delta-lactones by vinyl acetate mediated asymmetric cross-aldol reaction of acetaldehyde: mechanistic insights”, European Journal of Organic Chemistry, no. 24, pp. 5247-5255, 2014.
P. R. Sharma and Varma, A., “Thermal stability of cellulose and their nanoparticles: Effect of incremental increases in carboxyl and aldehyde groups”, Carbohydrate Polymers, vol. 114, pp. 339-343, 2014.
D. Sawant-Dhuri, Balasubramanian, V. V., Ariga, K., Park, D. - H., Choy, J. - H., Cha, W. Soo, Al-deyab, S. S., Halligudi, S. B., and Vinu, A., “Titania nanoparticles stabilized HPA in SBA-15 for the intermolecular hydroamination of activated olefins”, ChemCatChem, vol. 6, no. 12, pp. 3347-3354, 2014.
N. Vasudevan, Kashinath, K., and D. Reddy, S., “Total synthesis of deoxy-solomonamide B by mimicking biogenesis”, Organic Letters, vol. 16, no. 23, pp. 6148-6151, 2014.
P. M. Vadhadiya and Ramana, C. V., “Total synthesis of mangiferaelactone”, Tetrahedron Letters, vol. 55, no. 45, pp. 6263-6265, 2014.
P. Dhasaiyan, Pandey, P. Raj, Visaveliya, N., Roy, S., and Prasad, B. L. V., “Vesicle structures from bolaamphiphilic biosurfactants: experimental and molecular dynamics simulation studies on the effect of unsaturation on sophorolipid self-assemblies”, Chemistry-A European Journal, vol. 20, pp. 6246-6250, 2014.
2013
V. H. Thorat, Ingole, T. S., Vijayadas, K. N., Nair, R. V., Kale, S. S., Ramesh, V. V. E., Davis, H. C., Prabhakaran, P., Gonnade, R. G., Gawade, R. L., Puranik, V. G., Rajamohanan, P. R., and Sanjayan, G. J., “Ant-pro reverse-turn motif. structural features and conformational characteristics”, European Journal of Organic Chemistry, no. 17, pp. 3529-3542, 2013.
S. D. Vaidya and Argade, N. P., “Aryne insertion reactions leading to bioactive fused quinazolinones: diastereoselective total synthesis of cruciferane”, Organic Letters, vol. 15, no. 15, pp. 4006-4009, 2013.
P. Sonawane, Vishwakarma, R. Kishore, and Khan, B. Mohammad, “Biochemical characterization of recombinant cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala”, International Journal of Biological Macromolecules, vol. 58, pp. 154-159, 2013.
U. D. Phalgune, Rajamohanan, P. R., Gaikwad, B. G., Varma, R. J., and George, S., “Biodegradation of phenol by the yeast candida tropicalis: an investigation by NMR spectroscopy”, Applied Biochemistry and Biotechnology, vol. 169, no. 7, pp. 2029-2037, 2013.
N. Kuriakose and Vanka, K., “Can molecular cages be effective at small molecule activation? a computational investigation”, Inorganic Chemistry, vol. 52, no. 8, pp. 4238-4243, 2013.
A. Ghosh, Karne, A. S., Pal, S., and Vaval, N., “CAP/EOM-CCSD method for the study of potential curves of resonant states”, Physical Chemistry Chemical Physics, vol. 15, no. 41, pp. 17915-17921, 2013.
K. N. Tayade, Mane, M. V., Sen, S., Murthy, C. N., Tembe, G. L., S. Pillai, M., Vanka, K., and Mukherjee, S., “Catalytic and DFT study of selective ethylene oligomerization by nickel(II) oxime-based complexes”, Journal of Molecular Catalysis A-Chemical, vol. 366, pp. 238-246, 2013.
M. More, Pahari, S., Roy, S., and Venkatnathan, A., “Characterization of the structures and dynamics of phosphoric acid doped benzimidazole mixtures: a molecular dynamics study”, Journal of Molecular Modeling, vol. 19, no. 1, pp. 109-118, 2013.
N. Kumar Varshney, Ramasamy, S., Brannigan, J. A., Wilkinson, A. J., and Suresh, C. G., “Cloning, overexpression, crystallization and preliminary X-ray crystallographic analysis of a slow-processing mutant of penicillin G acylase from Kluyvera citrophila”, Acta Crystallographica Section F-Structural Biology and Crystallization Communications, vol. 69, no. 8, pp. 925-929, 2013.
V. Vijayan, Deshpande, P., Gadgil, C. J., and Gadgil, M., “Comparison of methods for identifying periodically varying genes”, International Journal of Bioinformatics Research and Applications, vol. 9, no. 1, pp. 53-70, 2013.
S. Vedantam and Ranade, V. V., “Crystallization: key thermodynamic, kinetic and hydrodynamic aspects”, Sadhana-Academy Proceedings in Engineering Sciences, vol. 38, no. 6, pp. 1287-1337, 2013.
K. Roy, Vinod, C. P., and Gopinath, C. S., “Design and performance aspects of a custom-built ambient pressure photoelectron spectrometer toward bridging the pressure gap: oxidation of Cu, Ag, and Au surfaces at 1 mbar O-2 pressure”, Journal of Physical Chemistry C, vol. 117, no. 9, pp. 4717-4726, 2013.
D. Ghosh, Kosenkov, D., Vanovschi, V., Flick, J., Kaliman, I., Shao, Y., Gilbert, A. T. B., Krylov, A. I., and Slipchenko, L. V., “Effective fragment potential method in Q-CHEM: a guide for users and developers”, Journal of Computational Chemistry, vol. 34, no. 12, pp. 1060-1070, 2013.
P. Unnikrishnan, Varhadi, P., and Srinivas, D., “Efficient, direct synthesis of dimethyl carbonate from CO2 using a solid, calcined zirconium phenylphosphonate phosphite catalyst”, RSC Advances, vol. 3, no. 46, pp. 23993-23996, 2013.
D. Bhattacharya, Vaval, N., and Pal, S., “Electronic transition dipole moments and dipole oscillator strengths within fock-space multi-reference coupled cluster framework: an efficient and novel approach”, Journal of Chemical Physics, vol. 138, no. 9, p. 094108, 2013.
K. N. Vijayadas, Nair, R. V., Gawade, R. L., Kotmale, A. S., Prabhakaran, P., Gonnade, R. G., Puranik, V. G., Rajamohanan, P. R., and Sanjayan, G. J., “Ester vs. amide on folding: a case study with a 2-residue synthetic peptide”, Organic & Biomolecular Chemistry, vol. 11, no. 48, pp. 8348-8356, 2013.
A. Pal and Vanka, K., “Exploring the effectiveness of different Lewis pair combinations in caged structures for the catalysis of ammonia borane dehydrogenation: a DFT study”, Physical Chemistry Chemical Physics, vol. 15, no. 48, pp. 20857-20867, 2013.
J. Gupta, Manohar, P. Uday, Ghosh, A., Vaval, N., and Pal, S., “Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study”, Chemical Physics, vol. 417, pp. 45-51, 2013.
R. D. Shingare, Velayudham, R., Gawade, J. R., and D. Reddy, S., “First total synthesis of hunanamycin A”, Organic Letters, vol. 15, no. 17, pp. 4556-4559, 2013.
S. Bhattacharya, Vaval, N., and Pal, S., “Fock space multireference coupled cluster theory: study of shape resonance”, International Journal of Quantum Chemistry, vol. 113, no. 12, pp. 1690-1695, 2013.
S. Singh, Vishwakarma, R. K., Kumar, R. J. Santosh, Sonawane, P. D., Ruby,, and Khan, B. Mohammad, “Functional characterization of a flavonoid glycosyltransferase gene from withania somnifera (Ashwagandha)”, Applied Biochemistry and Biotechnology, vol. 170, no. 3, pp. 729-741, 2013.
R. J. Santosh Kumar, Ruby,, Singh, S., Sonawane, P. D., Vishwakarma, R. K., and Khan, B. Mohammad, “Functional characterization of a glucosyltransferase specific to flavonoid 7-O-glucosides from withania somnifera”, Plant Molecular Biology Reporter, vol. 31, no. 5, pp. 1100-1108, 2013.
P. R. Sharma and Varma, A., “Functional nanoparticles obtained from cellulose: engineering the shape and size of 6-carboxycellulose”, Chemical Communications, vol. 49, no. 78, pp. 8818-8820, 2013.
U. D. Phalgune, Vanka, K., and Rajamohanan, P. R., “GIAO/DFT studies on 1,2,4-triazole-5-thiones and their propargyl derivatives”, Magnetic Resonance in Chemistry, vol. 51, no. 12, pp. 767-774, 2013.
P. Babu, Yang, T., Veluswamy, H. Prakash, Kumar, R., and Linga, P., “Hydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane”, Journal of Chemical Thermodynamics, vol. 61, pp. 58-63, 2013.
P. Dhasaiyan, Banerjee, A., Visaveliya, N., and Prasad, B. L. V., “Influence of the sophorolipid molecular geometry on their self-assembled structures”, Chemistry-an Asian Journal, vol. 8, no. 2, pp. 369-372, 2013.
A. Ghosh, Pal, S., and Vaval, N., “Interatomic coulombic decay in (HF)n,(n=2-3) clusters using CAP/EOM-CCSD method”, Molecular Physics, vol. 112, no. 5-6, pp. 669-673, 2013.
J. Gupta, Vaval, N., and Pal, S., “Lagrange multiplier approach for excited state properties through intermediate hamiltonian formulation of fock space multireference coupled-cluster theory”, Journal of Chemical Physics, vol. 139, no. 7, p. 074108, 2013.
S. S. Patil, Venugopal, E., Bhat, S. K., Mahadik, K. R., and Paradkar, A. R., “Mapping ion-induced mesophasic transformation in lyotropic in situ gelling system and its correlation with pharmaceutical performance”, Pharmaceutical Research, vol. 30, no. 7, pp. 1906-1914, 2013.
K. Ghatak, Mane, M., and Vanka, K., “Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation”, ACS Catalysis, vol. 3, no. 5, pp. 920-927, 2013.
R. K. Vishwakarma, Sonawane, P., Singh, S., Kumari, U., Ruby,, and Khan, B. Mohammad, “Molecular characterization and differential expression studies of an oxidosqualene cyclase (OSC) gene of Brahmi (Bacopa monniera)”, Physiology and Molecular Biology of Plants, vol. 19, no. 4, pp. 547-553, 2013.
R. K. Vishwakarma, Ruby,, Singh, S., Sonawane, P. D., Srivastava, S., Kumari, U., Kumar, R. J. Santosh, and Khan, B. Mohammad, “Molecular cloning, biochemical characterization, and differential expression of an acetyl-CoA C-acetyltransferase gene (AACT) of brahmi (Bacopa monniera)”, Plant Molecular Biology Reporter, vol. 31, no. 3, pp. 547-557, 2013.
S. P. Joshi and Vaval, N., “Multipole moments using extended coupled cluster method”, Chemical Physics Letters, vol. 568, pp. 170-175, 2013.
E. Venugopal, Aswal, V. K., and Kumaraswamy, G., “Nanoparticle size controls aggregation in lamellar nonionic surfactant mesophase”, Langmuir, vol. 29, no. 31, pp. 9643-9650, 2013.
A. Kumar Venugopal, Venugopalan, A. Thareparam, Kaliyappan, P., and Raja, T., “Oxidative dehydrogenation of ethyl benzene to styrene over hydrotalcite derived cerium containing mixed metal oxides”, Green Chemistry, vol. 15, no. 11, pp. 3259-3267, 2013.
A. Kumar Venugopal, Venugopalan, A. Thareparam, Kaliyappan, P., and Raja, T., “Oxidative dehydrogenation of ethyl benzene to styrene over hydrotalcite derived cerium containing mixed metal oxides”, Green Chemistry, vol. 15, no. 11, pp. 3259-3267, 2013.
A. Kumar Dutta, Vaval, N., and Pal, S., “Performance of the EOMIP-CCSD(2) method for determining the structure and properties of doublet radicals: a benchmark investigation”, Journal of Chemical Theory and Computation, vol. 9, no. 10, pp. 4313-4331, 2013.
I. Heidari, Vaval, N., Pal, S., and Kanhere, D. G., “Polarizability of few electron quantum dots: extended coupled-cluster response approach”, Chemical Physics Letters, vol. 555, pp. 263-267, 2013.
S. Vijayanand, Kannan, R., Potdar, H. S., Pillai, V. K., and Joy, P. Alias, “Porous Co3O4 nanorods as superior electrode material for supercapacitors and rechargeable Li-ion batteries”, Journal of Applied Electrochemistry, vol. 43, no. 10, pp. 995-1003, 2013.
P. Sonawane, Patel, K., Vishwakarma, R. Kishore, Srivastava, S., Singh, S., Gaikwad, S. M., and Khan, B. Mohammad, “Probing the active site of cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala”, International Journal of Biological Macromolecules, vol. 60, pp. 33-38, 2013.
A. Pal and Vanka, K., “Proposing late transition metal complexes as frustrated Lewis pairs - a computational investigation”, Dalton Transactions, vol. 42, no. 38, pp. 13866-13873, 2013.
S. Kadam and Vanka, K., “Solving the problem of negative populations in approximate accelerated stochastic simulations using the representative reaction approach”, Journal of Computational Chemistry, vol. 34, no. 5, pp. 394-404, 2013.
R. Langer, Fuchs, I., Vogt, M., Balaraman, E., Diskin-Posner, Y., Shimon, L. J. W., Ben-David, Y., and Milstein, D., “Stepwise metal-ligand cooperation via a reversible aromatization-deconjugation-sequence in ruthenium complexes with a tetradentate phenanthroline-based ligand”, Chemistry - A European Journal, vol. 19, no. 10, pp. 3407–3414, 2013.
N. Venkatathri, Pillai, V. K., Rajini, A., M. Raju, N., and Reddy, I. A. K., “Structural and catalytic properties of a novel vanadium containing solid core mesoporous silica shell catalysts for gas phase oxidation reaction”, Journal of Chemical Sciences, vol. 125, no. 1, pp. 63-69, 2013.
A. Ghosh, Pal, S., and Vaval, N., “Study of interatomic coulombic decay of Ne(H2O)(n) (n=1,3) clusters using equation-of-motion coupled-cluster method”, Journal of Chemical Physics, vol. 139, no. 6, p. Article No. 064112, 2013.

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