Works matching IS 01928651 AND DT 1990 AND VI 11 AND IP 9
Results: 15
Correlation of the acidity of substituted phenols, anilines, and benzoic acids calculated by MNDO, AM1, and PM3 with Hammett-type substituent constants.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1009, doi. 10.1002/jcc.540110902
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AM1 study of acid-catalyzed hydrolysis of maleamic (4-amino-4-oxo-2-butenoic) acids.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1094, doi. 10.1002/jcc.540110913
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Comparative study of imidazole hydration: Ab initio and electrostatic calculations vs. Cambridge structural database analysis.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1038, doi. 10.1002/jcc.540110906
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Masthead.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. fmi, doi. 10.1002/jcc.540110901
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Molecular mechanics study of myelin basic protein peptide 87-118: Some local energy minima.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1087, doi. 10.1002/jcc.540110912
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Pseudopotential calculations for methyl compounds of zinc and magnesium.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1029, doi. 10.1002/jcc.540110905
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An ab initio method for approximation of the frozen molecular fragment.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1072, doi. 10.1002/jcc.540110909
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A boundary element method for molecular electrostatics with electrolyte effects.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1080, doi. 10.1002/jcc.540110911
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Different approaches to conformational analysis: A comparison of completeness, efficiency, and reliability based on the study of a nine-membered lactam.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1021, doi. 10.1002/jcc.540110904
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A conformational study of cocaine and its diastereomers.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1111, doi. 10.1002/jcc.540110915
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Molecular mechanics calculations of several lanthanide complexes: An application of the random incremental pulse search.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1061, doi. 10.1002/jcc.540110908
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MRD-CI calculations of proton affinity within the ab initio method for approximation of the frozen molecular fragment.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1076, doi. 10.1002/jcc.540110910
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Theoretical analysis of the electronic spectrum of GeH<sub>4</sub> from ab initio CI calculations.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1017, doi. 10.1002/jcc.540110903
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PRODEN: A new program for calculating integrated projected populations.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1101, doi. 10.1002/jcc.540110914
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GEPOL: An improved description of molecular surfaces. I. Building the spherical surface set.
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- Journal of Computational Chemistry, 1990, v. 11, n. 9, p. 1047, doi. 10.1002/jcc.540110907
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