Works matching IS 01928651 AND DT 2001 AND VI 22 AND IP 3
Results: 9
Dielectric relaxation in proteins: a continuum electrostatics model incorporating dielectric heterogeneity of the protein and time-dependent charges.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 290, doi. 10.1002/1096-987X(200102)22:3<290::AID-JCC1002>3.0.CO;2-V
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Finding the needle in a haystack: educing native folds from ambiguous ab initio protein structure predictions.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 339, doi. 10.1002/1096-987X(200102)22:3<339::AID-JCC1006>3.0.CO;2-R
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A generalized expression for the similarity of spectra: application to powder diffraction pattern classification.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 273, doi. 10.1002/1096-987X(200102)22:3<273::AID-JCC1001>3.0.CO;2-0
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Charge redistribution effect on the properties of charge transfer complexes H<sub> n</sub>R⋅XY and H<sub> n</sub>R⋅X<sub>2</sub> (X, Y = F, Cl, Br, I; R = O, S, N, P).
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 327, doi. 10.1002/1096-987X(200102)22:3<327::AID-JCC1005>3.0.CO;2-Z
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Roles of proteins in the electron transfer in the photosynthetic reaction center of Rhodopseudomonas viridis: bacteriopheophytin to ubiquinone.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 265, doi. 10.1002/1096-987X(200102)22:3<265::AID-JCC1000>3.0.CO;2-4
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A computational study of base-catalyzed reactions between isocyanates and epoxides affording 2-oxazolidones and isocyanurates.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 316, doi. 10.1002/1096-987X(200102)22:3<316::AID-JCC1004>3.0.CO;2-5
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Predicting <sup>15</sup>N amide chemical shifts in proteins. I. An additive model for the backbone contribution.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 366, doi. 10.1002/1096-987X(200102)22:3<366::AID-JCC1008>3.0.CO;2-F
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A method to calculate the weights of nbo electronic structures from Moffitt's theorem.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 306, doi. 10.1002/1096-987X(200102)22:3<306::AID-JCC1003>3.0.CO;2-B
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Multiisotopic modeling of fragmentation ion patterns in mass spectra of organometallic and coordination compounds.
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- Journal of Computational Chemistry, 2001, v. 22, n. 3, p. 354, doi. 10.1002/1096-987X(200102)22:3<354::AID-JCC1007>3.0.CO;2-N
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