biblio

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2015
M. Karthikeyan, Pandit, D., and Vyas, R., “ChemScreener: a distributed computing tool for scaffold based virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 544-561, 2015.
N. Viswanadh, Velayudham, R., Jambu, S., Sasikumar, M., and Muthukrishnan, M., “Chiral aziridine ring opening: facile synthesis of (R)-modletine and (R)-phenoxybenzamine hydrochloride”, Tetrahedron Letters, vol. 56, no. 38, pp. 5269-5271, 2015.
N. Viswanadh, Velayudham, R., Jambu, S., Sasikumar, M., and Muthukrishnan, M., “Chiral aziridine ring opening: facile synthesis of (R)-modletine and (R)-phenoxybenzamine hydrochloride”, Tetrahedron Letters, vol. 56, no. 38, pp. 5269-5271, 2015.
Y. H. Woo, Ansari, H., Otto, T. D., Klinger, C. M., Kolisko, M., Michalek, J., Saxena, A., Shanmugam, D., Tayyrov, A., Veluchamy, A., Ali, S., Bernal, A., del Campo, J., Cihlar, J., Flegontov, P., Gornik, S. G., Hajduskova, E., Horak, A., Janouskovec, J., Katris, N. J., Mast, F. D., Miranda-Saavedra, D., Mourier, T., Naeem, R., Nair, M., Panigrahi, A. K., Rawlings, N. D., Padron-Regalado, E., Ramaprasad, A., Samad, N., Tomcala, A., Wilkes, J., Neafsey, D. E., Doerig, C., Bowler, C., Keeling, P. J., Roos, D. S., Dacks, J. B., Templeton, T. J., Waller, R. F., Lukes, J., Obornik, M., and Pain, A., “Chromerid genomes reveal the evolutionary path from photosynthetic algae to obligate intracellular parasites”, Elife, vol. 4, p. Article Number: e06974, 2015.
M. V. Mane, Rizvi, M. A., and Vanka, K., “Computational study of metal free alcohol dehydrogenation employing frustrated lewis pairs”, Journal of Organic Chemistry, vol. 80, no. 4, pp. 2081-2091, 2015.
V. Venkataramasubramanian and Sudalai, A., “Concise synthesis of (+/-)-clopidogrel via carboxylation of benzylamine with CO2”, Synthetic Communications, vol. 45, no. 18, pp. 2099-2105, 2015.
M. B. Gawande, Goswami, A., Asefa, T., Guo, H., Biradar, A. V., Peng, D. - L., Zboril, R., and Varma, R. S., “Core-shell nanoparticles: synthesis and applications in catalysis and electrocatalysis”, Chemical Society Reviews, vol. 44, no. 21, pp. 7540-7590, 2015.
A. B. Vysakh, Babu, C. Lizen, and Vinod, C. P., “Demonstration of synergistic catalysis in Au@Ni bimetallic core-shell nanostructures”, Journal of Physical Chemistry C, vol. 119, no. 15, pp. 8138-8146, 2015.
A. B. Vysakh, Babu, C. Lizen, and Vinod, C. P., “Demonstration of synergistic catalysis in Au@Ni bimetallic core-shell nanostructures”, Journal of Physical Chemistry C, vol. 119, no. 15, pp. 8138-8146, 2015.
M. Karthikeyan, Pandit, D., Bhavasar, A., and Vyas, R., “Design and development of cheminfocloud: an integrated cloud enabled platform for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 604-619, 2015.
M. Karthikeyan and Vyas, R., “Design and development of new chemoinformatics tools for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 526-527, 2015.
B. Seetharamsingh, Ramesh, R., Dange, S. S., Khairnar, P. V., Singhal, S., Upadhyay, D., Veeraraghavan, S., Viswanadha, S., Vakkalanka, S., and D. Reddy, S., “Design, synthesis, and identification of silicon incorporated oxazolidinone antibiotics with improved brain exposure”, ACS Medicinal Chemistry Letters, vol. 6, no. 11, pp. 1105-1110, 2015.
B. Seetharamsingh, Ramesh, R., Dange, S. S., Khairnar, P. V., Singhal, S., Upadhyay, D., Veeraraghavan, S., Viswanadha, S., Vakkalanka, S., and D. Reddy, S., “Design, synthesis, and identification of silicon incorporated oxazolidinone antibiotics with improved brain exposure”, ACS Medicinal Chemistry Letters, vol. 6, no. 11, pp. 1105-1110, 2015.
B. Seetharamsingh, Ramesh, R., Dange, S. S., Khairnar, P. V., Singhal, S., Upadhyay, D., Veeraraghavan, S., Viswanadha, S., Vakkalanka, S., and D. Reddy, S., “Design, synthesis, and identification of silicon incorporated oxazolidinone antibiotics with improved brain exposure”, ACS Medicinal Chemistry Letters, vol. 6, no. 11, pp. 1105-1110, 2015.
A. M. Korwar, Vannuruswamy, G., Jagadeeshaprasad, M. G., Jayaramaiah, R. H., Bhat, S., Regin, B. S., Ramaswamy, S., Giri, A. P., Mohan, V., Balasubramanyam, M., and Kulkarni, M. J., “Development of diagnostic fragment ion library for glycated peptides of human serum albumin: targeted quantification in prediabetic, diabetic, and microalbuminuria plasma by parallel reaction monitoring, SWATH, and MSE”, Molecular & Cellular Proteomics, vol. 14, no. 8, pp. 2150-2159, 2015.
L. K. Bagal, Patil, J. Y., Vaishampayan, M. V., Mulla, I. S., and Suryavanshi, S. S., “Effect of Pd and Ce on the enhancement of ethanol vapor response of SnO2 thick films”, Sensors and Actuators B-Chemical, vol. 207, pp. 383-390, 2015.
K. Rao Vankudoth, K. Rao, N., Sivadevuni, G., and Reddy, S. M., “Efficacy of food preservatives and volatile compounds in the control of ochratoxin a production by penicillium species”, Proceedings of the National Academy of Sciences, India - Section B: Biological Sciences, vol. 85, 2 vol. 2015.
G. Pandey, Varkhedkar, R., and Tiwari, D., “Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template”, Organic & Biomolecular Chemistry, vol. 13, no. 15, pp. 4438-4448, 2015.
U. Kumari, Vishwakarma, R. K., Gupta, N., Ruby,, Shirgurkar, M. V., and Khan, B. Mohammad, “Efficient shoots regeneration and genetic transformation of bacopa monniera”, Physiology and Molecular Biology of Plants, vol. 21, no. 2, pp. 261-267, 2015.
A. Kumar Dutta, Sengupta, T., Vaval, N., and Pal, S., “Electron attachment to DNA and RNA nucleobases: an EOMCC investigation”, International Journal of Quantum Chemistry, vol. 115, no. 12, pp. 753-764, 2015.
V. Venkataramasubramanian, B. Kumar, S., and Sudalai, A., “Enantioselective synthesis of guggultetrol and D-ribo-phytosphingosine tetraacetate via L-proline catalyzed sequential alpha-aminooxylation/Horner-Wardsworth-Emmons olefination-Sharpless asymmetric dihydroxylation strategy”, Tetrahedron-Asymmetry, vol. 26, no. 10-11, pp. 571-576, 2015.
M. Varada, Erande, N. D., and Kumar, V. A., “Ene-nucleic acids: a different paradigm to DNA chemistry”, RSC Advances, vol. 5, no. 118, pp. 97824-97830, 2015.
A. Kumar Dutta, Vaval, N., and Pal, S., “EOMIP-CCSD(2)*: an efficient method for the calculation of ionization potentials”, Journal of Chemical Theory and Computation, vol. 11, no. 6, pp. 2461-2472, 2015.
K. T. Prabhu Charan, Ranjan, P., Manojkumar, K., Pothanagandhi, N., Jha, P. C., Khedkar, V. M., Sivaramakrishna, A., and Vijayakrishna, K., “Evaluation of imidazolium-based ionic liquids towards vermicidal activity: in vitro & in silico studies”, RSC Advances, vol. 5, no. 92, pp. 75415-75424, 2015.
S. Gulam Dastager, Mawlankar, R. R., Sonalkar, V. V., Thorat, M. N., Mual, P., Verma, A., Krishnamurthi, S., Tang, S. - K., and Li, W. - J., “Exiguobacterium enclense sp nov., isolated from sediment”, International Journal of Systematic and Evolutionary Microbiology, vol. 65, pp. 1611-1616, 2015.
S. S. Patil, Venugopal, E., Bhat, S. K., Mahadik, K. R., and Paradkar, A. R., “Exploring microstructural changes in structural analogues of ibuprofen-hosted in situ gelling system and its influence on pharmaceutical performance”, AAPS Pharmscitech, vol. 16, no. 5, pp. 1153-1159, 2015.
L. Kathawate, Gejji, S. P., Yeole, S. D., Verma, P. L., Puranik, V. G., and Salunke-Gawali, S., “First naphthosemiquinone complex of K+ with vitamin K3 analog: experiment and density functional theory”, Journal of Molecular Structure, vol. 1088, pp. 56-63, 2015.
J. S. Foster, Zurek, J. M., Almeida, N. M. S., Hendriksen, W. E., le Sage, V. A. A., Lakshminarayanan, V., Thompson, A. L., Banerjee, R., Eelkema, R., Mulvana, H., Paterson, M. J., van Esch, J. H., and Lloyd, G. O., “Gelation landscape engineering using a multi-reaction supramolecular hydrogelator system”, Journal of the American Chemical Society, vol. 137, no. 45, pp. 14236-14239, 2015.
P. Goel, Bapat, S., Vyas, R., Tambe, A., and Tambe, S. S., “Genetic programming based quantitative structure-retention relationships for the prediction of Kovats retention indices”, Journal of Chromatography A, vol. 1420, pp. 98-109, 2015.
A. Banerjee, Bagmare, S., Varada, M., and Kumar, V. A., “Glycine-linked nucleoside-beta-amino acids: polyamide analogues of nucleic acids”, Bioconjugate Chemistry, vol. 26, no. 8, pp. 1737-1742, 2015.
V. S. Shinde, Mane, M. V., Vanka, K., Mallick, A., and Patil, N. T., “Gold(I)/chiral brønsted acid catalyzed enantioselective hydroamination-hydroarylation of alkynes: effect of remote hydroxyl group in the reactivity and enantioselectivity”, Chemistry - A European Journal, vol. 21, no. 3, pp. 975-979, 2015.
T. Vivekanand, Vinoth, P., Agieshkumar, B., Sampath, N., Sudalai, A., Menendez, C., and Sridharan, V., “Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation-Michael addition-cyclization sequence under catalyst- and solvent-free conditions”, Green Chemistry, vol. 17, no. 6, pp. 3415-3423, 2015.
T. Vivekanand, Vinoth, P., Agieshkumar, B., Sampath, N., Sudalai, A., Menendez, C., and Sridharan, V., “Highly efficient regioselective synthesis of pyrroles via a tandem enamine formation-Michael addition-cyclization sequence under catalyst- and solvent-free conditions”, Green Chemistry, vol. 17, no. 6, pp. 3415-3423, 2015.
S. Verma, Aute, S., Das, A., and Ghosh, H. N., “Hydrogen bond and ligand dissociation dynamics in fluoride sensing of Re(I)-polypyridyl complex”, Journal of Physical Chemistry B, vol. 119, no. 47, pp. 14952-14958, 2015.
A. C. Shaikh, Shalini, S., Vaidhyanathan, R., Mane, M. V., Barui, A. Kumar, Patra, C. Ranjan, Venkatesh, Y., Bangal, P. Ranjan, and Patil, N. T., “Identifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes”, European Journal of Organic Chemistry, no. 22, pp. 4860-4867, 2015.
A. C. Shaikh, Shalini, S., Vaidhyanathan, R., Mane, M. V., Barui, A. Kumar, Patra, C. Ranjan, Venkatesh, Y., Bangal, P. Ranjan, and Patil, N. T., “Identifying solid luminogens through gold-catalysed intramolecular hydroarylation of alkynes”, European Journal of Organic Chemistry, no. 22, pp. 4860-4867, 2015.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Implementation of the Z-vector method in the relativistic-coupled-cluster framework to calculate first-order energy derivatives: Application to the SrF molecule”, Physical Review A, vol. 91, no. 3, p. 030503, 2015.
Y. M. Kolekar, Vannuruswamy, G., Bansode, S. B., Santhakumari, B., Thulasiram, H. V., and Kulkarni, M. J., “Investigation of antiglycation activity of isoprenaline”, RSC Advances, vol. 5, no. 32, pp. 25051-25058, 2015.
A. Ghosh, Pal, S., and Vaval, N., “Lifetime of inner-shell hole states of Ar (2p) and Kr (3d) using equation-of-motion coupled cluster method”, Journal of Chemical Physics, vol. 143, no. 2, p. Article No. 024305, 2015.
S. Nandi, Dhavale, V. M., Shalini, S., Werner-Zwanziger, U., Singh, H., Kurungot, S., and Vaidhyanathan, R., “Lithium-assisted proton conduction at 150 degrees C in a microporous triazine-phenol polymer”, Advanced Materials Interfaces, vol. 2, no. 16, p. 1500301, 2015.
K. K. Singh, Tiwari, M. K., Dhar, B. B., Vanka, K., and Gupta, S. Sen, “Mechanism of oxygen atom transfer from Fe-V(O) to olefins at room temperature”, Inorganic Chemistry, vol. 54, no. 13, pp. 6112-6121, 2015.
M. Karthikeyan, Pandit, Y., Pandit, D., and Vyas, R., “MegaMiner: a tool for lead identification through text mining using chemoinformatics tools and cloud computing environment”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 591-603, 2015.
R. R. Mawlankar, Mual, P., Sonalkar, V. V., Thorat, M. N., Verma, A., Srinivasan, K., and Dastager, S. Gulam, “Microbacterium enclense sp nov., isolated from sediment sample”, International Journal of Systematic and Evolutionary Microbiology, vol. 65, pp. 2064-2070, 2015.
K. Suranjit Prasad, Vaghasiya, J. V., Soni, S. S., Patel, J., Patel, R., Kumari, M., Jasmani, F., and Selvaraj, K., “Microbial selenium nanoparticles (SeNPs) and their application as a sensitive hydrogen peroxide biosensor”, Applied Biochemistry and Biotechnology, vol. 177, no. 6, pp. 1386-1393, 2015.
A. Pratima G. Nikalje, Nimbalkar, M. Urja D., Tupe, S., Vazquez, J. A. Seijas, and Tato, M. Pilar Vazq, “Molecular sieves and ultrasound-assisted synthesis of novel 1,3,4-oxadiazole-2-thiones derivatives as potential antifungal agents”, in 19TH INTERNATIONAL ELECTRONIC CONFERENCE ON SYNTHETIC ORGANIC CHEMISTRY, ST. ALBAN-ANLAGE 66, BASEL, CH-4052, SWITZERLAND, 2015.
A. Kumar Dutta, Vaval, N., and Pal, S., “New scheme for perturbative triples correction to (0,1) sector of Fock space multi-reference coupled cluster method: Theory, implementation, and examples”, Journal of Chemical Physics, vol. 142, no. 4, p. Article No. 044113, 2015.
D. Mitra, Venkatathari, N., Sabharwal, S. C., Godbole, S. V., Tyagi, A. K., and Das, S., “Novel 2,6-diformyl-4-methyl phenol based chemosensor for Zn-II ion by ratiometric displacement of Cd-II ion and its application for cell imaging on human melanoma cancer cells”, Journal of the Indian Chemical Society, vol. 92, no. 11, pp. 1729-1745, 2015.
S. Sreedhala, Sudheeshkumar, V., and Vinod, C. P., “Oxidation catalysis by large trisoctahedral gold nanoparticles: Mind the step!”, Catalysis Today, vol. 244, pp. 177-183, 2015.
L. Ravichandran, Vaval, N., and Pal, S., “Partial triples excitation to the fock space multi-reference singles and doubles: dipole moment of doublet radicals”, in Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2010 (ICCMSE-2010), 2 Huntington Quadrangle, STE 1NO1, Melville, NY 11747-4501 USA, 2015, vol. 1642, pp. 223-226.
D. Mullangi, Nandi, S., Shalini, S., Sreedhala, S., Vinod, C. P., and Vaidhyanathan, R., “Pd loaded amphiphilic COF as catalyst for multi-fold Heck reactions, C-C couplings and CO oxidation”, Scientific Reports, vol. 5, p. 10876, 2015.
D. Mullangi, Nandi, S., Shalini, S., Sreedhala, S., Vinod, C. P., and Vaidhyanathan, R., “Pd loaded amphiphilic COF as catalyst for multi-fold Heck reactions, C-C couplings and CO oxidation”, Scientific Reports, vol. 5, p. 10876, 2015.
R. Vyas, Karthikeyan, M., Nainaru, G., and Muthukrishnan, M., “Pharmacophore and docking based virtual screening of validated mycobacterium tuberculosis targets”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 624-637, 2015.
M. Karthikeyan, Rajamohanan, P. Ramanpilla, and Vyas, R., “Prediction of bioactive compounds using computed NMR chemical shifts”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 562-576, 2015.
S. Gupta, Vinod, C. P., and Jagadeesan, D., “Preparation of mesoporous titanosilicate with isolated Ti active centers for cyclohexene oxidation”, RSC Advances, vol. 5, no. 112, pp. 92371-92377, 2015.
V. Venkataramasubramanian, Kiran, I. N. Chaitha, and Sudalai, A., “Proline-catalyzed alpha-aminooxylation of beta-amino aldehydes: access to enantiomerically pure syn- and anti-3-amino-3-aryl-1,2-alkanediols”, Synlett, vol. 26, no. 3, pp. 355-358, 2015.
M. Karthikeyan, Pandit, D., and Vyas, R., “Protein ligand complex guided approach for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 577-590, 2015.
H. Pathak, Sahoo, B. K., Sengupta, T., Das, B. P., Vaval, N., and Pal, S., “Relativistic equation-of-motion coupled-cluster investigation of the trends of single and double ionization potentials in the He and Be isoelectronic systems”, Journal of Physics B-Atomic Molecular and Optical Physics, vol. 48, no. 11, p. 115009, 2015.
S. Sasmal, Pathak, H., Nayak, M. K., Vaval, N., and Pal, S., “Relativistic extended coupled cluster method for magnetic hyperfine structure constant”, Physical Review A, vol. 91, no. 2, p. Article No. 022512, 2015.
A. S. Nagpure, Venugopal, A. Kumar, Lucas, N., Manikandan, M., Thirumalaiswamy, R., and Chilukuri, S. V., “Renewable fuels from biomass-derived compounds: Ru-containing hydrotalcites as catalysts for conversion of HMF to 2,5-dimethylfuran”, Catalysis Science & Technology, vol. 5, no. 3, pp. 1463-1472, 2015.
K. N. Vijayadas, Kotmale, A. S., Thorat, S. H., Gonnade, R. G., Nair, R. V., Rajamohanan, P. R., and Sanjayan, G. J., “Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif”, Organic & Biomolecular Chemistry, vol. 13, no. 10, pp. 3064-3069, 2015.
M. Karthikeyan, Vyas, R., Tambe, S. S., Radhamohan, D., and Kulkarni, B. D., “Role of chemical reactivity and transition state modeling for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 638-657, 2015.
M. Karthikeyan and Vyas, R., “Role of data and methods in chemoinformatics for virtual screening”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 622-623, 2015.
M. Karthikeyan and Vyas, R., “Role of open source tools and resources in virtual screening for drug discovery”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 6, pp. 528-543, 2015.
P. Natarajan, Patil, K. M., Vij, M., Yadav, A. K., Kumar, V. A., Ganguli, M., and Fernandes, M., “RXR-carbamate - a novel molecular transporter for skin”, Molecular Therapy, vol. 23, pp. S64-S64, 2015.
S. Kandambeth, Venkatesh, V., Shinde, D. B., Kumari, S., Halder, A., Verma, S., and Banerjee, R., “Self-templated chemically stable hollow spherical covalent organic framework”, Nature Communications, vol. 6, p. 6786, 2015.
S. Kandambeth, Venkatesh, V., Shinde, D. B., Kumari, S., Halder, A., Verma, S., and Banerjee, R., “Self-templated chemically stable hollow spherical covalent organic framework”, Nature Communications, vol. 6, p. 6786, 2015.
P. Chandra, Doke, D. S., Umbarkar, S. B., Vanka, K., and Biradar, A. V., “Silica microspheres containing high density surface hydroxyl groups as efficient epoxidation catalysts”, RSC Advances, vol. 5, no. 27, pp. 21125-21131, 2015.
M. Mujahid, Perumal, Y., Sriram, D., Basavanag, U. M. V., Dıaz-Cervantes, E., Cordoba-Bahena, L., Robles, J., Gonnade, R. Ghanshyam, Karthikeyan, M., Vyas, R., and M. Krishnan, M., “Spirochromone-chalcone conjugates as antitubercular agents: synthesis, bio evaluation and molecular modeling studies”, RSC Advances, vol. 5, no. 129, 2015.
A. Kulkarni, Lele, A. K., Sivaram, S., Rajamohanan, P. R., Velankar, S., and Chatterji, A., “Star telechelic poly(L-lactide) ionomers”, Macromolecules, vol. 48, no. 18, pp. 6580-6588, 2015.
D. Chand, Varshney, N. K., Ramasamy, S., Panigrahi, P., Brannigan, J. A., Wilkinson, A. J., and Suresh, C. G., “Structure mediation in substrate binding and post-translational processing of penicillin acylases: Information from mutant structures of Kluyvera citrophila penicillin G acylase”, Protein Science, vol. 24, no. 10, pp. 1660-1670, 2015.
P. M. Vadhadiya, Rout, J. K., and Ramana, C. V., “Studies toward the total synthesis of cytospolide E”, Tetrahedron, vol. 71, no. 48, pp. 9088-9094, 2015.
R. Vyas, Bapat, S., Jain, E., Tambe, S. S., Karthikeyan, M., and Kulkarni, B. D., “Study of applications of machine learning based classification methods for virtual screening of lead molecules”, Combinatorial Chemistry & High Throughput Screening, vol. 18, no. 7, pp. 658-672, 2015.
S. Sreedhala and Vinod, C. P., “Surfactant assisted formation of ruthenium nanochains under mild conditions and their catalytic CO oxidation activity”, Chemical Communications, vol. 51, no. 50, pp. 10178-10181, 2015.
A. Pariyar, Vijaykumar, G., Bhunia, M., Dey, S. Kr., Singh, S. K., Kurungot, S., and Mandal, S. K., “Switching closed-shell to open-shell phenalenyl: toward designing electroactive materials”, Journal of the American Chemical Society, vol. 137, no. 18, pp. 5955-5960, 2015.
H. B. Borate, Annadate, R. A., Vagh, S. S., Pisal, M. M., Deokate, S. B., Arkile, M. A., Jadhav, N. J., Nawale, L. U., and Sarkar, D., “Synthesis and evaluation of thieno[2,3-d]pyrimidin-4(3H)-ones as potential antitubercular agents”, MedChemComm, vol. 6, no. 12, pp. 2209-2215, 2015.
S. Kundu, Yadav, R. Manohar, Narayanan, T. N., Shelke, M. V., Vajtai, R., Ajayan, P. M., and Pillai, V. K., “Synthesis of N, F and S co-doped graphene quantum dots”, Nanoscale, vol. 7, no. 27, pp. 11515-11519, 2015.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)”, Chemical Physics Letters, vol. 636, pp. 228-229, 2015.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities (vol 635, pg 168, 2015)”, Chemical Physics Letters, vol. 636, pp. 228-229, 2015.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities”, Chemical Physics Letters, vol. 635, pp. 168-173, 2015.
A. S. Karne, Vaval, N., Pal, S., Vasquez-Perez, J. M., Koester, A. M., and Calaminici, P., “Systematic comparison of DFT and CCSD dipole moments, polarizabilities and hyperpolarizabilities”, Chemical Physics Letters, vol. 635, pp. 168-173, 2015.
A. S. Pawbake, Island, J. O., Flores, E., Ares, J. Ramon, Sanchez, C., Ferrer, I. J., Jadkar, S. R., van der Zant, H. S. J., Castellanos-Gomez, A., and Late, D. J., “Temperature-dependent raman spectroscopy of titanium trisulfide (TiS3) nanoribbons and nanosheets”, ACS Applied Materials & Interfaces, vol. 7, no. 43, pp. 24185-24190, 2015.
P. M. Vadhadiya and Ramana, C. V., “Total synthesis of sinenside A”, Organic Letters, vol. 17, no. 7, pp. 1724-1727, 2015.
A. Pandreka, Dandekar, D. S., Haldar, S., Uttara, V., Vijayshree, S. G., Mulani, F. A., Aarthy, T., and Thulasiram, H. V., “Triterpenoid profiling and functional characterization of the initial genes involved in isoprenoid biosynthesis in neem (Azadirachta indica)”, BMC Plant Biology, vol. 15, p. Article Number: 214, 2015.
D. Vernekar and Jagadeesan, D., “Tunable acid-base bifunctional catalytic activity of FeOOH in an orthogonal tandem reaction”, Catalysis Science & Technology, vol. 5, no. 8, pp. 4029-4038, 2015.
2014
M. K. Munshi, Gade, S. M., Mane, M. V., Mishra, D., Pal, S., Vanka, K., Rane, V. H., and Kelkar, A. A., “1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU): a highly efficient catalyst in glycerol carbonate synthesis”, Journal of Molecular Catalysis A-Chemical, vol. 391, pp. 144-149, 2014.
S. Kadam and Vanka, K., “Accounting of noise to solve the problem of negative populations in approximate accelerated stochastic simulations”, RSC Advances, vol. 4, no. 102, pp. 58127-58136, 2014.
K. Rao Vankudoth and Sivadevuni, G., “Antimicrobial and dna damaging activity of ochratoxin a extracted from Penicillium species”, International Journal of Pharma and Bio Sciences, vol. 5, no. 4, pp. 335-341, 2014.
V. S. Shende, Shingote, S. K., Deshpande, S. H., Kuriakose, N., Vanka, K., and Kelkar, A. A., “Asymmetric transfer hydrogenation of imines in water/methanol co-solvent system and mechanistic investigation by DFT study”, RSC Advances, vol. 4, no. 86, pp. 46351-46356, 2014.
D. Raju, Vishwakarma, R. K., Khan, B. Mohammad, Mehta, U. J., and Ahmad, A., “Biological synthesis of cationic gold nanoparticles and binding of plasmid DNA”, Materials Letters, vol. 129, pp. 159-161, 2014.
A. Pal and Vanka, K., “Can silylenes rival transition metal systems in bond-strengthening pi-back donation? a computational investigation”, Chemical Communications, vol. 50, no. 62, pp. 8522-8525, 2014.
S. H. Thorat, Patwadkar, M. V., Gonnade, R. G., and Vaidhyanathan, R., “Capturing a novel metastable polymorph of the anticancer drug gefitinib”, CrystEngComm, vol. 16, no. 37, pp. 8638-8641, 2014.
M. Karthikeyan and Vyas, R., “Chemoinformatics approach for the design and screening of focused virtual libraries”, in Practical Chemoinformatics, India: Springer, 2014, pp. 93-131.
N. Mohammad, Malvi, P., Meena, A. Singh, Singh, S. Vikram, Chaube, B., Vannuruswamy, G., Kulkarni, M. J., and Bhat, M. Kumar, “Cholesterol depletion by methyl-beta-cyclodextrin augments tamoxifen induced cell death by enhancing its uptake in melanoma”, Molecular Cancer, vol. 13, p. Article No. 204, 2014.
B. Ahmad Dar, Singh, S., Pandey, N., Singh, A. P., Sharma, P., Lazar, A., Sharma, M., Vishwakarma, R. A., and Singh, B., “Clay encapsulated Cu(OH)(x) promoted homocoupling of arylboronic acids: an efficient and eco-friendly protocol”, Applied Catalysis A-General, vol. 470, pp. 232-238, 2014.
A. Ghosh, Vaval, N., Pal, S., and Bartlett, R. J., “Complex absorbing potential based equation-of-motion coupled cluster method for the potential energy curve of CO2- anion”, Journal of Chemical Physics, vol. 141, no. 16, p. Article No. 164113, 2014.
Y. Sajeev, Ghosh, A., Vaval, N., and Pal, S., “Coupled cluster methods for autoionisation resonances”, International Reviews in Physical Chemistry, vol. 33, no. 3, pp. 397-425, 2014.
J. Kumawat, Gupta, V. Kumar, and Vanka, K., “Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation”, Organometallics, vol. 33, no. 17, pp. 4357-4367, 2014.
S. S. Soni, Fadadu, K. B., Vekariya, R. L., Debgupta, J., Patel, K. D., Gibaud, A., and Aswal, V. K., “Effect of self-assembly on triiodide diffusion in water based polymer gel electrolytes: an application in dye solar cell”, Journal of Colloid and Interface Science, vol. 425, pp. 110-117, 2014.
D. Bhattacharya, Vaval, N., and Pal, S., “Electronic transition dipole moment: a semi-biorthogonal approach within valence universal coupled cluster framework”, International Journal of Quantum Chemistry, vol. 114, no. 18, pp. 1212-1219, 2014.
S. Deshpande, Venugopal, E., Ramagiri, S., Bellare, J. R., Kumaraswamy, G., and Singh, N., “Enhancing cubosome functionality by coating with a single layer of poly-epsilon-lysine”, ACS Applied Materials & Interfaces, vol. 6, no. 19, pp. 17126-17133, 2014.

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