Masthead.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. fmi, doi. 10.1002/jcc.540161201
- Publication type:
- Article
Works matching IS 01928651 AND DT 1995 AND VI 16 AND IP 12
Results: 11
1
2
Remarks on the use of the apparent surface charges (ASC) methods in solvation problems: Iterative versus matrix-inversion procedures and the renormalization of the apparent charges.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1449, doi. 10.1002/jcc.540161202
- By:
- Publication type:
- Article
3
Harmonic analysis of large systems. II. Comparison of different protein models.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1543, doi. 10.1002/jcc.540161210
- By:
- Publication type:
- Article
4
Localization and quantitative evaluation of potent local binding sites on the accessible Lennard-jones surface.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1459, doi. 10.1002/jcc.540161203
- By:
- Publication type:
- Article
5
Numerical evaluation of three- and four-center bielectronic integrals using exponential-type atomic orbitals.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1507, doi. 10.1002/jcc.540161207
- By:
- Publication type:
- Article
6
Calculation of molecular geometries, relative conformational energies, dipole moments, and molecular electrostatic potential fitted charges of small organic molecules of biochemical interest by density functional theory.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1483, doi. 10.1002/jcc.540161206
- By:
- Publication type:
- Article
7
Application of the shape group method to conformational processes: Shape and conjugation changes in the conformers of 2-phenyl pyrimidine.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1474, doi. 10.1002/jcc.540161205
- By:
- Publication type:
- Article
8
Harmonic analysis of large systems. I. Methodology.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1522, doi. 10.1002/jcc.540161209
- By:
- Publication type:
- Article
9
Harmonic analysis of large systems. III. Comparison with molecular dynamics.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1554, doi. 10.1002/jcc.540161211
- By:
- Publication type:
- Article
10
Incorporating the protein - dipole Langevin - dipole model into Tanford-Kirkwood theory.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1468, doi. 10.1002/jcc.540161204
- By:
- Publication type:
- Article
11
Calculation of relative free energy differences for the covalent hydration of organic compounds: A combined quantum mechanical and free energy perturbation study.
- Published in:
- Journal of Computational Chemistry, 1995, v. 16, n. 12, p. 1513, doi. 10.1002/jcc.540161208
- By:
- Publication type:
- Article