Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. fmi, doi. 10.1002/qua.560300301
- Publication type:
- Article
Works matching IS 00207608 AND DT 1986 AND VI 30 AND IP 3
Results: 14
1
2
The agp-based polarization propagator.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 445, doi. 10.1002/qua.560300312
- By:
- Publication type:
- Article
3
Unitary group approach to general system partitioning. II. U( n) matrix element evaluation in a composite basis.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 365, doi. 10.1002/qua.560300305
- By:
- Publication type:
- Article
4
Analytical force constant calculation as a minimization problem.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 433, doi. 10.1002/qua.560300309
- By:
- Publication type:
- Article
5
A chemically useful definition of electron difference densities.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 439, doi. 10.1002/qua.560300311
- By:
- Publication type:
- Article
6
Unitary group approach to general system partitioning. I. Calculation of U( n = n<sub>1</sub> + n<sub>2</sub>): U( n<sub>1</sub>) × u( n<sub>2</sub>) reduced matrix elements and reduced wigner coefficients.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 327, doi. 10.1002/qua.560300304
- By:
- Publication type:
- Article
7
Alternative derivation of perturbation expansions in the projection operator formalism.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 421, doi. 10.1002/qua.560300308
- By:
- Publication type:
- Article
8
Semi-Empirical methods of quantum chemistry. By Joanna Sadlej (1979), translated by Ian L. Cooper, Uppsala: Ellis Horwood Limited, 1985.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 437, doi. 10.1002/qua.560300310
- By:
- Publication type:
- Article
9
Ab initio mo calculations on the chlorophyll-water system and estimation of the structure of the special pair.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 311, doi. 10.1002/qua.560300303
- By:
- Publication type:
- Article
10
Density functional theory and the band gap problem.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 451, doi. 10.1002/qua.560300314
- By:
- Publication type:
- Article
11
Ab initio scf and Ci study of the electronic structure of the trichlorine radical.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 413, doi. 10.1002/qua.560300307
- By:
- Publication type:
- Article
12
A variational approach to the solution of poisson's equation in prolate spheroidal coordinates.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 305, doi. 10.1002/qua.560300302
- By:
- Publication type:
- Article
13
Semidiffuse states of diatomic molecules: Configuration interaction studies of the lowest <sup>2</sup>∑<sup>+</sup> and <sup>2</sup>Δ states of NS, SiF, and CCI.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 449, doi. 10.1002/qua.560300313
- By:
- Publication type:
- Article
14
Simple geometric generation of special points in brillouin-zone integrations. Two-dimensional bravais lattices.
- Published in:
- International Journal of Quantum Chemistry, 1986, v. 30, n. 3, p. 391, doi. 10.1002/qua.560300306
- By:
- Publication type:
- Article