Model potentials for molecular calculations. II. The spd-MP set for transition metal atoms Sc through Hg.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 256, doi. 10.1002/jcc.540080305
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1987 AND VI 8 AND IP 3
Results: 7
1
2
Enumeration and classification of benzenoid hydrocarbons.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 189, doi. 10.1002/jcc.540080301
- By:
- Publication type:
- Article
3
Model potentials for molecular calculations. I. The sd-MP set for transition metal atoms Sc through Hg.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 226, doi. 10.1002/jcc.540080304
- By:
- Publication type:
- Article
4
Small imines and oximes as model compounds in the optimization of a consistent force field potential energy function.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 204, doi. 10.1002/jcc.540080303
- By:
- Publication type:
- Article
5
Interaction energy studies of 8-azapurine during transcription.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 272, doi. 10.1002/jcc.540080307
- By:
- Publication type:
- Article
6
Electronic structure of clusters modeling silica.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 198, doi. 10.1002/jcc.540080302
- By:
- Publication type:
- Article
7
The through-space transmission of <sup>77</sup>Se - <sup>77</sup>Se coupling constants.
- Published in:
- Journal of Computational Chemistry, 1987, v. 8, n. 3, p. 265, doi. 10.1002/jcc.540080306
- By:
- Publication type:
- Article