biblio
, “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.
, “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.
, “Alkylation of benzene to cumene over mor zeolite catalysts”, Revue Roumaine De Chimie, vol. 57, no. 2, pp. 107-113, 2012.
, “Antituberculosis agent diaportheone B: synthesis, absolute configuration assignment, and anti-TB activity of its analogues”, Organic & Biomolecular Chemistry, vol. 10, no. 28, pp. 5385-5394, 2012.
, “Biomimetic synthesis of selenium nanoparticles using cell-free extract of microbacterium sp ARB05”, Micro & Nano Letters, vol. 7, no. 1, pp. 1-4, 2012.
, “Characterization of biocompatible NiCo2O4 nanoparticles for applications in hyperthermia and drug delivery”, Nanomedicine-Nanotechnology Biology and Medicine, vol. 8, no. 4, pp. 452-459, 2012.
, “Comparative genomics of the apicomplexan parasites toxoplasma gondii and neospora caninum: coccidia differing in host range and transmission strategy”, Plos Pathogens, vol. 8, no. 3, 2012.
, “Computational investigation of the role of the iridium dihydrogen pincer complex in the formation of the cyclic pentamer (NH2BH2)(5)”, Computational and Theoretical Chemistry, vol. 992, pp. 18-29, 2012.
, “Conducting polyanilline based paints on hot dip galvanized low carbon steel for corrosion protection”, Bulgarian Chemical Communications, vol. 44, no. 4, pp. 318-323, 2012.
, “Confinement of zinc oxide nanoparticles in ordered mesoporous silica MCM-41”, Materials Chemistry and Physics, vol. 133, no. 2-3, pp. 850-856, 2012.
, “Constrained variational approach for energy derivatives in Intermediate hamiltonian fock-space coupled-cluster theory”, Chemical Physics, vol. 401, pp. 45-49, 2012.
, “Critical review of membrane bioreactor models - Part 2: Hydrodynamic and integrated models”, Bioresource Technology, vol. 122, pp. 107-118, 2012.
, “Crystallization and X-ray structure analysis of a thermostable penicillin G acylase from alcaligenes faecalis”, Acta Crystallographica Section F-Structural Biology and Crystallization Communications, vol. 68, pp. 273-277, 2012.
, “Effect of the surface roughness of conducting polypyrrole thin-film electrodes on the electrocatalytic reduction of nitrobenzene”, Journal of Applied Polymer Science, vol. 125, no. 3, pp. 1875-1881, 2012.
, “Epitaxial magnetic oxide nanocrystals via phase decomposition of bismuth perovskite precursors”, Advanced Functional Materials, vol. 22, no. 24, pp. 5224-5230, 2012.
, “Equation-of-motion coupled-cluster method for the study of shape resonance”, Journal of Chemical Physics, vol. 136, no. 23, p. 234110, 2012.
, “Exploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational study”, Journal of Physical Chemistry B, vol. 116, no. 32, pp. 9803-9811, 2012.
, “Exploring the potential of doped zero-dimensional cages for proton transfer in fuel cells: a computational study”, Journal of Physical Chemistry B, vol. 116, no. 32, pp. 9803-9811, 2012.
, “Extended coupled cluster for Raman and infrared spectra of small molecules”, Chemical Physics, vol. 403, pp. 25-32, 2012.
, “Fock-space multi-reference coupled-cluster response with the effect of triples on dipole moment of ClO and SF radicals”, Journal of Chemical Sciences, vol. 124, no. 1, pp. 223-232, 2012.
, “Functional characterization and differential expression studies of squalene synthase from Withania somnifera”, Molecular Biology Reports, vol. 39, no. 9, pp. 8803-8812, 2012.
, “Hydrous RuO2-carbon nanofiber electrodes with high mass and electrode-specific capacitance for efficient energy storage”, Nanoscale, vol. 4, no. 3, pp. 890-896, 2012.
, “Microstructural elucidation of self-emulsifying system: effect of chemical structure”, Pharmaceutical Research, vol. 29, no. 8, pp. 2180-2188, 2012.
, “Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell”, Journal of Physical Chemistry B, vol. 116, no. 24, pp. 7357-7366, 2012.
, “Molecular oxygen-assisted oxidative dehydrogenation of ethylbenzene to styrene with nanocrystalline Ti1-xVxO2”, Green Chemistry, vol. 14, no. 2, pp. 461-471, 2012.
, “Nanocomposite silica surfactant microcapsules by evaporation induced self assembly: tuning the morphological buckling by modifying viscosity and surface charge”, Soft Matter, vol. 8, no. 6, pp. 1955-1963, 2012.
, “Nanocomposite silica surfactant microcapsules by evaporation induced self assembly: tuning the morphological buckling by modifying viscosity and surface charge”, Soft Matter, vol. 8, no. 6, pp. 1955-1963, 2012.
, “New approximate method for the stochastic simulation of chemical systems: the representative reaction approach”, Journal of Computational Chemistry, vol. 33, no. 3, pp. 276-285, 2012.
, “Novel mechanism involved in temporal regulation of skin pigmentation homeostasis”, Journal of Investigative Dermatology, vol. 132, p. S128, 2012.
, “NOx catalyzed pathway of stratospheric ozone depletion: a coupled cluster investigation”, Journal of Chemical Theory and Computation, vol. 8, no. 6, pp. 1895-1901, 2012.
, “Organocatalytic sequential alpha-amination/corey-chaykovsky reaction of aldehydes: a high yield synthesis of 4-hydroxypyrazolidine derivatives”, Organic Letters, vol. 14, no. 10, pp. 2468-2471, 2012.
, “Photosensitization of nanoparticulate TiO2 using a Re(I)-polypyridyl complex: studies on interfacial electron transfer in the ultrafast time domain”, Physical Chemistry Chemical Physics, vol. 14, no. 22, pp. 8192-8198, 2012.
, “Poly(allyl glycidyl ether-co-ethylene glycol dimethacrylate) copolymer beads as support for covalent immobilization of L-aminoacylase”, Reactive & Functional Polymers, vol. 72, no. 10, pp. 687-694, 2012.
, “Polymorphs, salts, and cocrystals: what's in a name?”, Crystal Growth & Design, vol. 12, no. 5, pp. 2147-2152, 2012.
, “Polymorphs, salts, and cocrystals: what's in a name?”, Crystal Growth & Design, vol. 12, no. 5, pp. 2147-2152, 2012.
, “Polymorphs, salts, and cocrystals: what's in a name?”, Crystal Growth & Design, vol. 12, no. 5, pp. 2147-2152, 2012.
, “Polymorphs, salts and cocrystals: what's in a name? (vol 12, pg 2147, 2012)”, Crystal Growth & Design, vol. 12, pp. 4290-4291, 2012.
, “Polymorphs, salts and cocrystals: what's in a name? (vol 12, pg 2147, 2012)”, Crystal Growth & Design, vol. 12, pp. 4290-4291, 2012.
, “Preparation of cross-linked enzyme aggregates of L-aminoacylase via co-aggregation with polyethyleneimine”, Journal of Molecular Catalysis B-Enzymatic, vol. 74, no. 3-4, pp. 184-191, 2012.
, “Probing influence of mesophasic transformation on performance of self-emulsifying system: effect of ion”, Molecular Pharmaceutics, vol. 9, no. 2, pp. 318-324, 2012.
, “Production, purification, and characterization of a beta-glucosidase of penicillium funiculosum NCL1”, Applied Biochemistry and Biotechnology, vol. 167, no. 5, pp. 959-972, 2012.
, “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.