Masthead.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. fmi, doi. 10.1002/jcc.540050201
- Publication type:
- Article
Works matching IS 01928651 AND DT 1984 AND VI 5 AND IP 2
Results: 14
1
2
Group equivalents for converting ab initio energies to enthalpies of formation.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 197, doi. 10.1002/jcc.540050212
- By:
- Publication type:
- Article
3
Compact contracted Gaussian-type basis sets for halogen atoms. Basis-set superposition effects on molecular properties.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 146, doi. 10.1002/jcc.540050205
- By:
- Publication type:
- Article
4
Treatment of multiexponential decay data by the method of zero determinants.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 182, doi. 10.1002/jcc.540050209
- By:
- Publication type:
- Article
5
A theoretical study on the protonation of cycloalkanes C<sub> n</sub>H<sub>2 n</sub> ( n = 3 to 6).
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 190, doi. 10.1002/jcc.540050211
- By:
- Publication type:
- Article
6
An approach to computing electrostatic charges for molecules.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 129, doi. 10.1002/jcc.540050204
- By:
- Publication type:
- Article
7
Ab initio studies of structural features not easily amenable to experiment. 32. Conformational analysis and molecular structures of isopropyl and ethyl formate and comparison with spectroscopic data.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 175, doi. 10.1002/jcc.540050208
- By:
- Publication type:
- Article
8
Experimental mathematics. I. Computational study on the limit cycle behavior of a two-dimensional chemical oscillator.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 186, doi. 10.1002/jcc.540050210
- By:
- Publication type:
- Article
9
Ab initio studies of structural features not easily amenable to experiment. 30. Conformational analysis and molecular structures of propanal and butanal.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 122, doi. 10.1002/jcc.540050203
- By:
- Publication type:
- Article
10
Comparison of the RHF, NDDO, and MOM molecular one-electron expectation values calculated using minimum basis sets with Slater, Burns, Clementi, and BLMO exponents.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 207, doi. 10.1002/jcc.540050214
- By:
- Publication type:
- Article
11
Initial conformations of macrocyclic compounds with rotational symmetry generated from a molecular fragment.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 170, doi. 10.1002/jcc.540050207
- By:
- Publication type:
- Article
12
Theoretical development of a Gaussian potential function in the description of the radial portion of isotropic bending vibrations.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 115, doi. 10.1002/jcc.540050202
- By:
- Publication type:
- Article
13
Conformational analysis of allylamine. An ab initio molecular orbital study.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 200, doi. 10.1002/jcc.540050213
- By:
- Publication type:
- Article
14
Microcomputer-aided instruction and research in group theory.
- Published in:
- Journal of Computational Chemistry, 1984, v. 5, n. 2, p. 162, doi. 10.1002/jcc.540050206
- By:
- Publication type:
- Article