A systematic preparation of new contracted Gaussian-type orbital sets. III. Second-row atoms from Li through ne.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 205, doi. 10.1002/jcc.540010302
- By:
- Publication type:
- Article
Works matching IS 01928651 AND DT 1980 AND VI 1 AND IP 3
Results: 14
1
2
A theoretical approach to substituent effects.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 295, doi. 10.1002/jcc.540010313
- By:
- Publication type:
- Article
3
Graphite: A molecular mechanics treatment.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 257, doi. 10.1002/jcc.540010306
- By:
- Publication type:
- Article
4
Masthead.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. fmi, doi. 10.1002/jcc.540010301
- Publication type:
- Article
5
Electronic structure of benzaldehyde: A comparative study of the lowest excited singlet π* ← π and π* ← n states.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 288, doi. 10.1002/jcc.540010312
- By:
- Publication type:
- Article
6
The electronic structure and optical activity of conjugated dienes: 1,3-Butadiene and α- and β-phellandrene.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 240, doi. 10.1002/jcc.540010305
- By:
- Publication type:
- Article
7
Quantum chemical investigations of charge transfer interactions in relation to the electronic theory of cancer. II.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 275, doi. 10.1002/jcc.540010309
- By:
- Publication type:
- Article
8
The electrostatic potential of yeast tRNA<sup>Phe</sup>. II. The potentials of the phosphate groups in their various conformational states.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 301, doi. 10.1002/jcc.540010314
- By:
- Publication type:
- Article
9
Ab initio calculations of the rotational potential functions for propanol and ethyl methyl ether.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 285, doi. 10.1002/jcc.540010311
- By:
- Publication type:
- Article
10
Evaluation of MINDO/3 calculated structures. II. Branching errors in alkanes and cycloalkanes.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 233, doi. 10.1002/jcc.540010304
- By:
- Publication type:
- Article
11
Ab initio calculations of the rotational potential functions for propylamine and ethylmethylamine.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 281, doi. 10.1002/jcc.540010310
- By:
- Publication type:
- Article
12
The computational application of the Cahn-Ingold-Prelog rules 1 and 2.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 229, doi. 10.1002/jcc.540010303
- By:
- Publication type:
- Article
13
A method for constrained energy minimization of macromolecules.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 266, doi. 10.1002/jcc.540010308
- By:
- Publication type:
- Article
14
An analysis of the molecular packing of maleic hydrazide.
- Published in:
- Journal of Computational Chemistry, 1980, v. 1, n. 3, p. 261, doi. 10.1002/jcc.540010307
- By:
- Publication type:
- Article