Masthead.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. fmi, doi. 10.1002/jcc.540100401
- Publication type:
- Article
Works matching IS 01928651 AND DT 1989 AND VI 10 AND IP 4
Results: 13
1
2
An ab initio distributed multipole study of the electrostatic potential around an undecapeptide cyclosporin derivative and a comparison with point charge electrostatic models.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 552, doi. 10.1002/jcc.540100412
- By:
- Publication type:
- Article
3
Atomic charge models for polypeptides derived from ab initio calculations.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 479, doi. 10.1002/jcc.540100405
- By:
- Publication type:
- Article
4
Application of various population methods to some oxygenated compounds.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 514, doi. 10.1002/jcc.540100409
- By:
- Publication type:
- Article
5
A method for fitting a smooth ribbon to curved DNA.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 529, doi. 10.1002/jcc.540100411
- By:
- Publication type:
- Article
6
Nitrogen inversion barriers in three-membered rings. An ab initio molecular orbital study.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 468, doi. 10.1002/jcc.540100404
- By:
- Publication type:
- Article
7
Molecular mechanics (MM2) calculations on peptides and on the protein Crambin using the CYBER 205.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 503, doi. 10.1002/jcc.540100408
- By:
- Publication type:
- Article
8
Calculation of number and free energy of the conformers of linear alkanes with medium and long chains. Implications for catalysis.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 520, doi. 10.1002/jcc.540100410
- By:
- Publication type:
- Article
9
Theoretical study of the proton affinities of 2-, 3-, and 4-monosubstituted pyridines in the gas phase by means of MINDO/3, MNDO, and AM1.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 449, doi. 10.1002/jcc.540100403
- By:
- Publication type:
- Article
10
Basis set quality versus size II. Approximate GTO wave functions for second row transition metal atoms.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 495, doi. 10.1002/jcc.540100407
- By:
- Publication type:
- Article
11
Degenerate lithium-hydrogen exchange reactions: Ab initio models for metallation mechanisms involving H<sub>2</sub>, CH<sub>4</sub>, NH<sub>3</sub>, H<sub>2</sub>O, and HF.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 437, doi. 10.1002/jcc.540100402
- By:
- Publication type:
- Article
12
An MNDO molecular orbital study of the reactions of protonated oxirane derivatives (XCHCH<sub>2</sub>OH<sup>+</sup>, X = CN, Cl, CH<sub>3</sub>, Ph) with simple nucleophiles. Implications for regioselectivity in the reactions of electrophiles with nucleic acid bases
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 568, doi. 10.1002/jcc.540100413
- By:
- Publication type:
- Article
13
Monte Carlo simulations for the study of hemoglobin-fragment conformations.
- Published in:
- Journal of Computational Chemistry, 1989, v. 10, n. 4, p. 488, doi. 10.1002/jcc.540100406
- By:
- Publication type:
- Article