Masthead.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. fmi, doi. 10.1002/jcc.540010101
- Publication type:
- Article
Works matching IS 01928651 AND DT 1980 AND VI 1 AND IP 1
Results: 14
1
2
Atomic X<sub>α</sub> calculations based on E<sup> HFS</sup>(α) = E<sup>exp</sup>.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 88, doi. 10.1002/jcc.540010112
- By:
- Publication type:
- Article
3
A simplex optimized INDO calculation of <sup>13</sup>C chemical shifts in hydrocarbons.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 36, doi. 10.1002/jcc.540010105
- By:
- Publication type:
- Article
4
A systematic CI procedure with modified virtual orbitals.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 69, doi. 10.1002/jcc.540010109
- By:
- Publication type:
- Article
5
Integrated spatial electron populations in molecules: Application to simple molecules.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 81, doi. 10.1002/jcc.540010111
- By:
- Publication type:
- Article
6
The structure and energies of some unsaturated four-membered ring carbocycles.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 30, doi. 10.1002/jcc.540010104
- By:
- Publication type:
- Article
7
A pseudopotential SCF-MO study of Te.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 64, doi. 10.1002/jcc.540010108
- By:
- Publication type:
- Article
8
On the gearing of methyl groups in hexamethylbenzene.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 76, doi. 10.1002/jcc.540010110
- By:
- Publication type:
- Article
9
Orbital topology. II. Orbital mapping of unsymmetrical molecules. A survey of the thermal isomerizations of dewar isomers of isoelectronically substituted benzenes, cyclopentadienes, and cyclopentadienyl ions.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 21, doi. 10.1002/jcc.540010103
- By:
- Publication type:
- Article
10
The application of molecular mechanics to the structures of carbohydrates.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 99, doi. 10.1002/jcc.540010114
- By:
- Publication type:
- Article
11
Metal-metal bond energies in Mo<sub>2</sub>, Mo<sub>2</sub>Cl.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 59, doi. 10.1002/jcc.540010107
- By:
- Publication type:
- Article
12
Orbital topology. I. A basic topological model for chemical systems, an orbital mapping technique, and analyses of model, thermal electrocyclic reactions.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 3, doi. 10.1002/jcc.540010102
- By:
- Publication type:
- Article
13
Isomeric structures of protonated ozone: A theoretical study.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 94, doi. 10.1002/jcc.540010113
- By:
- Publication type:
- Article
14
Conformational analysis of proteins: Algorithms and data structures for array processing.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 1, p. 46, doi. 10.1002/jcc.540010106
- By:
- Publication type:
- Article