Works matching IS 16102940 AND DT 2009 AND VI 15 AND IP 9
Results: 14
Theoretical evaluation of the order of reactivity of transfer agents utilized in RAFT polymerization: group Z.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1133
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Homology modeling of a novel epoxide hydrolase (EH) from Aspergillus niger SQ-6: structure-activity relationship in expoxides inhibiting EH activity.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1125, doi. 10.1007/s00894-009-0466-5
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Ab Initio studies of receptor interactions with AMPA ((S)-2-amino-3-(3-hydroxy-5-methyl-4-isoxazolyl) propionic acid ) and Kainic acid (2S-(2α,3β,4β))-2-carboxy-4-(1-methylethenyl)-3-pyrrolidineacetic acid.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1109, doi. 10.1007/s00894-009-0460-y
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Optical and vibrational properties of 1,2-benzenedicarboxylic anhydride.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1119, doi. 10.1007/s00894-009-0462-9
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Solvent accessible surface area approximations for rapid and accurate protein structure prediction.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1093, doi. 10.1007/s00894-009-0454-9
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Homology modeling of human α1β2γ2 and house fly β3 GABA receptor channels and Surflex-docking of fipronil.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1145, doi. 10.1007/s00894-009-0477-2
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Quantum chemical study of the inhibition of the corrosion of mild steel in H<sub>2</sub>SO<sub>4</sub> by some antibiotics.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1085, doi. 10.1007/s00894-009-0472-7
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Adsorption of CO on Cu (110) and (100) surfaces using COSMO-based DFT.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1079, doi. 10.1007/s00894-009-0471-8
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Theoretical study of the geometrical and electronic structures and thermochemistry of spherophanes.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1067
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Performance of Becke’s half-and-half functional for non-covalent interactions: energetics, geometries and electron densities.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1051, doi. 10.1007/s00894-009-0459-4
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Theoretical study on the thermal decomposition of model compounds for Poly (dialkyl fumarate).
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1043, doi. 10.1007/s00894-009-0457-6
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Analysis of oligomeric proteins during unfolding by pH and temperature.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1013, doi. 10.1007/s00894-008-0365-1
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Chemical function-based pharmacophore generation of selective κ-opioid receptor agonists by catalyst and phase.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1027, doi. 10.1007/s00894-008-0418-5
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Theoretical kinetic study of the formation reactions of methanol and methyl hypohalites in the gas phase.
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- Journal of Molecular Modeling, 2009, v. 15, n. 9, p. 1061, doi. 10.1007/s00894-009-0461-x
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