Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. fmi, doi. 10.1002/qua.560200401
- Publication type:
- Article
Works matching IS 00207608 AND DT 1981 AND VI 20 AND IP 4
Results: 19
1
2
Positron band structures for beryllium.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 891, doi. 10.1002/qua.560200412
- By:
- Publication type:
- Article
3
Estimation of dissociation energy of alkali diatomics using an extended Linderberg relation.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 807, doi. 10.1002/qua.560200405
- By:
- Publication type:
- Article
4
Studies in Löwdin's partitioning technique in quantum theory. I. Invertibility of the operator K.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 927, doi. 10.1002/qua.560200416
- By:
- Publication type:
- Article
5
Spin-Free quantum chemistry. XXII. Multiconfiguration self-consistent field theory.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 861, doi. 10.1002/qua.560200409
- By:
- Publication type:
- Article
6
Limiting behavior of the ratio of 〈 r.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 887, doi. 10.1002/qua.560200411
- By:
- Publication type:
- Article
7
Relationship of correlation energy and size.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 793, doi. 10.1002/qua.560200404
- By:
- Publication type:
- Article
8
Monte-Carlo simulation of water solvent with biomolecules: Serines with reaction-field correction.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 921, doi. 10.1002/qua.560200415
- By:
- Publication type:
- Article
9
Ab initio molecular orbital calculation of fe-porphine with a double zeta basis set.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 843, doi. 10.1002/qua.560200408
- By:
- Publication type:
- Article
10
Simplification of an earlier MCSCF procedure for CI expansions involving orbital excitations.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 953, doi. 10.1002/qua.560200419
- By:
- Publication type:
- Article
11
MSW- SCF- Xα studies of some silicon compounds. I. Iminosilicon (HNSi).
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 879, doi. 10.1002/qua.560200410
- By:
- Publication type:
- Article
12
Construction of hydration shells for the tautomeric forms of heterocycles based on electrostatic potentials.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 785, doi. 10.1002/qua.560200403
- By:
- Publication type:
- Article
13
Inclusion of hydrogen p orbitals in the semiempirical calculation of NMR parameters. III: INDO CHF calculations of orbital and dipolar contributions to spin-spin coupling constants involving protons.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 909, doi. 10.1002/qua.560200414
- By:
- Publication type:
- Article
14
Study of predissociation resonances by the complex coordinate method.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 835, doi. 10.1002/qua.560200407
- By:
- Publication type:
- Article
15
Evaluation of angular integrals in rotational invariants.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 951, doi. 10.1002/qua.560200418
- By:
- Publication type:
- Article
16
Explicitly correlated configuration interaction wave functions for the He atom using correlated Gaussians.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 781, doi. 10.1002/qua.560200402
- By:
- Publication type:
- Article
17
Electron correlation described by an extended geminal model.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 817, doi. 10.1002/qua.560200406
- By:
- Publication type:
- Article
18
Methods of composite molecular wave functions. I. Variational principle and multiconfiguration SCF theory.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 897, doi. 10.1002/qua.560200413
- By:
- Publication type:
- Article
19
Self-Consistent APW-k · p method. II. Application to NaCl.
- Published in:
- International Journal of Quantum Chemistry, 1981, v. 20, n. 4, p. 933, doi. 10.1002/qua.560200417
- By:
- Publication type:
- Article