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
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1992 AND VI 13 AND IP 9
Results: 17
1
2
Monte Carlo simulation of the diabatic free energy curves for a dissociative electron transfer reaction in a polar solvent.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1057, doi. 10.1002/jcc.540130904
- By:
- Publication type:
- Article
3
Treatment of redundancies among internal coordinates in optimizing molecular mechanics force constants.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1142, doi. 10.1002/jcc.540130915
- By:
- Publication type:
- Article
4
Protein calculations on parallel processors. II. Parallel algorithm for the forces and molecular dynamics.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1098, doi. 10.1002/jcc.540130908
- By:
- Publication type:
- Article
5
Improvements on the protein-dipole Langevin-dipole model.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1109, doi. 10.1002/jcc.540130910
- By:
- Publication type:
- Article
6
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.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1047, doi. 10.1002/jcc.540130903
- By:
- Publication type:
- Article
7
Intensities of infrared bands in molecular mechanics (MM3).
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1138, doi. 10.1002/jcc.540130914
- By:
- Publication type:
- Article
8
PM3-SM3: A general parameterization for including aqueous solvation effects in the PM3 molecular orbital model.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1089, doi. 10.1002/jcc.540130907
- By:
- Publication type:
- Article
9
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.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1037, doi. 10.1002/jcc.540130902
- By:
- Publication type:
- Article
10
Molecular mechanics studies of ketene derivatives and related structures.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1125, doi. 10.1002/jcc.540130913
- By:
- Publication type:
- Article
11
Algorithm to generate reaction pathways for computer-assisted elucidation.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1079, doi. 10.1002/jcc.540130906
- By:
- Publication type:
- Article
12
Announcement.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1170, doi. 10.1002/jcc.540130917
- Publication type:
- Article
13
Masthead.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. fmi, doi. 10.1002/jcc.540130901
- Publication type:
- Article
14
General expression for the density dependence of the mori coefficients.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1119, doi. 10.1002/jcc.540130912
- By:
- Publication type:
- Article
15
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.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1066, doi. 10.1002/jcc.540130905
- By:
- Publication type:
- Article
16
Study of hydrogen bonding interactions relevant to biomolecular structure and function.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1151, doi. 10.1002/jcc.540130916
- By:
- Publication type:
- Article
17
Highly accurate diatomic centrifugal distortion constants for high orders and high levels.
- Published in:
- Journal of Computational Chemistry, 1992, v. 13, n. 9, p. 1103, doi. 10.1002/jcc.540130909
- By:
- Publication type:
- Article