biblio
“Radical mediated deoxygenation of inositol benzylidene acetals: conformational analysis, DFT calculations, and mechanism”, Carbohydrate Research, vol. 351, pp. 26-34, 2012.
, “Rapid self-healing hydrogels”, Proceedings of the National Academy of Sciences of the United States of America, vol. 109, no. 12, pp. 4383-4388, 2012.
, “Sequential energy and electron transfer in polynuclear complex sensitized TiO2 nanoparticles”, Journal of Physical Chemistry Letters, vol. 3, no. 11, pp. 1543–1548, 2012.
, “Simple one pot synthesis of nano gold-mesoporous silica and its oxidation catalysis”, Catalysis Today, vol. 198, no. 1, pp. 92-97, 2012.
, “Strength from weakness: the role of CH center dot center dot center dot N hydrogen bond in the formation of wave-like topology in crystals of aza-heterocycles”, Crystengcomm, vol. 14, no. 2, pp. 519-524, 2012.
, “Studies toward the synthesis of potent anti-inflammatory peptides solomonamides A and B: synthesis of a macrocyclic skeleton and key fragment 4-amino-6-(2 `-amino-4 `-hydroxyphenyl)-3-hydroxy-2-methyl-6-oxohexanoic acid (AHMOA)”, Organic Letters, vol. 14, no. 24, pp. 6222-6225, 2012.
, “Synthesis of isomeric corniculatolides”, Tetrahedron Letters, vol. 53, no. 47, pp. 6343-6346, 2012.
, “TDR Targets: a chemogenomics resource for neglected diseases”, Nucleic Acids Research, vol. 40, no. D1, pp. D1118-D1127, 2012.
, “Theoretical study of metal-metal cooperativity in the homogeneous water gas shift reaction”, Inorganic Chemistry, vol. 51, no. 1, pp. 377-385, 2012.
, “TiO2-Au plasmonic nanocomposite for enhanced dye-sensitized solar cell (DSSC) performance”, Solar Energy, vol. 86, no. 5, pp. 1428-1434, 2012.
, “TiO2-Au plasmonic nanocomposite for enhanced dye-sensitized solar cell (DSSC) performance”, Solar Energy, vol. 86, no. 5, pp. 1428-1434, 2012.
, “Total synthesis and structural revision of stagonolide D”, Journal of Organic Chemistry, vol. 77, no. 5, pp. 2169–2175, 2012.
, “Towards biodegradable elastomers: green synthesis of carbohydrate functionalized styrene-butadiene-styrene copolymer by click chemistry”, Green Chemistry, vol. 14, no. 2, pp. 348-356, 2012.
, “Unusual conformational similarity of two peptide folds featuring sulfonamide and carboxamide on the backbone”, Chemical Communications, vol. 48, no. 78, pp. 9747-9749, 2012.
, “Water and a protic ionic liquid acted as refolding additives for chemically denatured enzymes”, Organic & Biomolecular Chemistry, vol. 10, no. 37, pp. 7475-7478, 2012.
, “Ant-pro reverse-turn motif. structural features and conformational characteristics”, European Journal of Organic Chemistry, no. 17, pp. 3529-3542, 2013.
, “Aryne insertion reactions leading to bioactive fused quinazolinones: diastereoselective total synthesis of cruciferane”, Organic Letters, vol. 15, no. 15, pp. 4006-4009, 2013.
, “Biochemical characterization of recombinant cinnamoyl CoA reductase 1 (Ll-CCRH1) from Leucaena leucocephala”, International Journal of Biological Macromolecules, vol. 58, pp. 154-159, 2013.
, “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.
, “Can molecular cages be effective at small molecule activation? a computational investigation”, Inorganic Chemistry, vol. 52, no. 8, pp. 4238-4243, 2013.
, “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.
, “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.
, “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.
, “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.
, “Comparison of methods for identifying periodically varying genes”, International Journal of Bioinformatics Research and Applications, vol. 9, no. 1, pp. 53-70, 2013.
, “Crystallization: key thermodynamic, kinetic and hydrodynamic aspects”, Sadhana-Academy Proceedings in Engineering Sciences, vol. 38, no. 6, pp. 1287-1337, 2013.
, “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.
, “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.
, “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.
, “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.
, “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.
, “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.
, “Extended coupled cluster through nth perturbation order for molecular response properties: a comparative study”, Chemical Physics, vol. 417, pp. 45-51, 2013.
, “First total synthesis of hunanamycin A”, Organic Letters, vol. 15, no. 17, pp. 4556-4559, 2013.
, “Fock space multireference coupled cluster theory: study of shape resonance”, International Journal of Quantum Chemistry, vol. 113, no. 12, pp. 1690-1695, 2013.
, “Functional characterization of a flavonoid glycosyltransferase gene from withania somnifera (Ashwagandha)”, Applied Biochemistry and Biotechnology, vol. 170, no. 3, pp. 729-741, 2013.
, “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.
, “Functional nanoparticles obtained from cellulose: engineering the shape and size of 6-carboxycellulose”, Chemical Communications, vol. 49, no. 78, pp. 8818-8820, 2013.
, “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.
, “Hydrate phase equilibrium of ternary gas mixtures containing carbon dioxide, hydrogen and propane”, Journal of Chemical Thermodynamics, vol. 61, pp. 58-63, 2013.
, “Influence of the sophorolipid molecular geometry on their self-assembled structures”, Chemistry-an Asian Journal, vol. 8, no. 2, pp. 369-372, 2013.
, “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.
, “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.
, “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.
, “Metal or nonmetal cooperation with a phenyl group: route to catalysis? a computational investigation”, ACS Catalysis, vol. 3, no. 5, pp. 920-927, 2013.
, “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.
, “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.
, “Multipole moments using extended coupled cluster method”, Chemical Physics Letters, vol. 568, pp. 170-175, 2013.
, “Nanoparticle size controls aggregation in lamellar nonionic surfactant mesophase”, Langmuir, vol. 29, no. 31, pp. 9643-9650, 2013.
, “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.
, “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.
, “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.
, “Polarizability of few electron quantum dots: extended coupled-cluster response approach”, Chemical Physics Letters, vol. 555, pp. 263-267, 2013.
, “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.
, “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.
, “Proposing late transition metal complexes as frustrated Lewis pairs - a computational investigation”, Dalton Transactions, vol. 42, no. 38, pp. 13866-13873, 2013.
, “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.
, “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.
, “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.
, “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.
, “Sugar furanoid trans-vicinal diacid as a gamma-turn inducer: synthesis and conformational study”, Organic & Biomolecular Chemistry, vol. 11, no. 40, pp. 6874-6878, 2013.
, “Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids”, Organic & Biomolecular Chemistry, vol. 11, no. 41, pp. 7072-7075, 2013.
, “Synthesis and catalytic activity of monodisperse gold-mesoporous silica core-shell nanocatalysts”, Catalysis Science & Technology, vol. 3, no. 5, pp. 1190-1193, 2013.
, “Synthesis of all four nucleoside-based beta-amino acids as protected precursors for the synthesis of polyamide-DNA with alternating alpha-amino acid and nucleoside-beta-amino acids”, Tetrahedron, vol. 69, no. 3, pp. 1210-1216, 2013.
, “Synthesis of palmyrolide A and its cis-isomer and mechanistic insight into trans-cis isomerisation of the enamide macrocycle”, Chemical Communications, vol. 49, no. 32, pp. 3342-3344, 2013.
, “Thermodynamic behavior of hydrophobically modified polyacrylamide containing random distribution of hydrophobes: experimental and theoretical investigations”, Polymer, vol. 54, no. 11, pp. 2676-2689, 2013.
, “Two-stage fermentation process for enhanced mannitol production using Candida magnoliae mutant R9”, Bioprocess and Biosystems Engineering, vol. 36, no. 2, pp. 193-203, 2013.
, “Zirconium phenyl phosphonate phosphite as a highly active, reusable, solid acid catalyst for producing fatty acid polyol esters”, Applied Catalysis A-General, vol. 462, pp. 129-136, 2013.
, “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.
, “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.
, “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.
, “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.
, “Biological synthesis of cationic gold nanoparticles and binding of plasmid DNA”, Materials Letters, vol. 129, pp. 159-161, 2014.
, “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.
, “Capturing a novel metastable polymorph of the anticancer drug gefitinib”, CrystEngComm, vol. 16, no. 37, pp. 8638-8641, 2014.
, “Chemoinformatics approach for the design and screening of focused virtual libraries”, in Practical Chemoinformatics, India: Springer, 2014, pp. 93-131.
, “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.
, “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.
, “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.
, “Coupled cluster methods for autoionisation resonances”, International Reviews in Physical Chemistry, vol. 33, no. 3, pp. 397-425, 2014.
, “Donor decomposition by lewis acids in Ziegler-Natta catalyst systems: a computational investigation”, Organometallics, vol. 33, no. 17, pp. 4357-4367, 2014.
, “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.
, “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.
, “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.
, “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.
, “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.
, “Extended coupled cluster method for potential energy surface: a decoupled approach”, Chemical Physics Letters, vol. 612, pp. 209-213, 2014.
, “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.
, “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.
, “Functionalization of cardanol: towards biobased polymers and additives”, Polymer Chemistry, vol. 5, no. 9, pp. 3142-3162, 2014.
, “Functionalized celluloses and their nanoparticles: morphology, thermal properties, and solubility studies”, Carbohydrate Polymers, vol. 104, no. 1, pp. 135-142, 2014.
, “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.
, “Green chemistry approach to styrene from ethylbenzene and air on MnxTi1-xO2 catalyst”, RSC Advances, vol. 4, no. 100, pp. 57087-57097, 2014.
, “Ground state of naphthyl cation: singlet or triplet?”, Journal of Chemical Physics, vol. 140, no. 11, p. 114312, 2014.
, “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.
, “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.
, “Hybrid diphosphorus ligands in rhodium catalysed asymmetric hydroformylation”, Coordination Chemistry Reviews, vol. 262, pp. 1-15, 2014.
, “Hydrogen storage in clathrate hydrates: Current state of the art and future directions”, Applied Energy, vol. 122, pp. 112-132, 2014.
, “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.
, “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.
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