Works matching IS 01928651 AND DT 1992 AND VI 13 AND IP 9
Results: 17
Solving the finite-difference non-linear Poisson-Boltzmann equation.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1114, doi. 10.1002/jcc.540130911
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Monte Carlo simulation of the diabatic free energy curves for a dissociative electron transfer reaction in a polar solvent.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1057, doi. 10.1002/jcc.540130904
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Treatment of redundancies among internal coordinates in optimizing molecular mechanics force constants.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1142, doi. 10.1002/jcc.540130915
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Protein calculations on parallel processors. II. Parallel algorithm for the forces and molecular dynamics.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1098, doi. 10.1002/jcc.540130908
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- Article
Improvements on the protein-dipole Langevin-dipole model.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1109, doi. 10.1002/jcc.540130910
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- Article
Theoretical studies of [ n]paracyclophanes and their valence isomers. I. Geometries, strain energies, and enthalpies of the inter-conversions of [ n]paracyclophanes and their Dewar benzee isomers.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1047, doi. 10.1002/jcc.540130903
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- Article
Intensities of infrared bands in molecular mechanics (MM3).
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1138, doi. 10.1002/jcc.540130914
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PM3-SM3: A general parameterization for including aqueous solvation effects in the PM3 molecular orbital model.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1089, doi. 10.1002/jcc.540130907
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- Article
Analysis of the gas-phase addition of water to formaldehyde: A semiempirical and ab initio study of bifunctional catalysis by H<sub>2</sub>O.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1037, doi. 10.1002/jcc.540130902
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Molecular mechanics studies of ketene derivatives and related structures.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1125, doi. 10.1002/jcc.540130913
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Algorithm to generate reaction pathways for computer-assisted elucidation.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1079, doi. 10.1002/jcc.540130906
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Announcement.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1170, doi. 10.1002/jcc.540130917
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- Article
Masthead.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. fmi, doi. 10.1002/jcc.540130901
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- Article
General expression for the density dependence of the mori coefficients.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1119, doi. 10.1002/jcc.540130912
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Ab Initio investigation of the structures and stabilities of CH<sub>2</sub>N<sub>2</sub>, CHFN<sub>2</sub>, and CF<sub>2</sub>N<sub>2</sub> isomers: Important consequences of MP2 optimizations.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1066, doi. 10.1002/jcc.540130905
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- Article
Study of hydrogen bonding interactions relevant to biomolecular structure and function.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1151, doi. 10.1002/jcc.540130916
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- Article
Highly accurate diatomic centrifugal distortion constants for high orders and high levels.
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- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1103, doi. 10.1002/jcc.540130909
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- Article