Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. fmi, doi. 10.1002/qua.560180501
- Publication type:
- Article
Works matching IS 00207608 AND DT 1980 AND VI 18 AND IP 5
Results: 14
1
2
Ab initio Hartree-Fock and multiple-scattering Xα calculation of the g factors for CuF<sub>2</sub>.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1271, doi. 10.1002/qua.560180512
- By:
- Publication type:
- Article
3
Multiple scattering mass operator method for molecular orbital calculations.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1165, doi. 10.1002/qua.560180505
- By:
- Publication type:
- Article
4
Effective potential model for calculating the energy shift in the ground state of two-electron atoms.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1223, doi. 10.1002/qua.560180509
- By:
- Publication type:
- Article
5
Improved transformation algorithm of two-electron integrals from atomic orbital basis to a symmetry orbital basis.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1157, doi. 10.1002/qua.560180504
- By:
- Publication type:
- Article
6
Applicability of coupled-pair theories to quasidegenerate electronic states: A model study.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1243, doi. 10.1002/qua.560180511
- By:
- Publication type:
- Article
7
Average fock operators.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1207, doi. 10.1002/qua.560180508
- By:
- Publication type:
- Article
8
Direct configuration interaction with a reference state composed of many reference configurations.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1229, doi. 10.1002/qua.560180510
- By:
- Publication type:
- Article
9
Concept of charge transfer: Investigation of charge transfer in the glyoxal-formamide, water dimer, and water-lithium cation systems.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1143, doi. 10.1002/qua.560180503
- By:
- Publication type:
- Article
10
Biological response as a function of conformation, chirality, and electronic characteristics: A catecholamine study.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1309, doi. 10.1002/qua.560180514
- By:
- Publication type:
- Article
11
Nonempirical calculations on diatomic transition metals. II. RHF investigation of lowest closed-shell states of homonuclear 3 d transition-metal dimers.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1187, doi. 10.1002/qua.560180507
- By:
- Publication type:
- Article
12
High accuracy wave functions and eigenenergies for the vibration-rotation states of diatomic molecules by factorization method.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1133, doi. 10.1002/qua.560180502
- By:
- Publication type:
- Article
13
Reduced hamiltonian orbitals. III. Unitarily invariant decomposition of hermitian operators.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1279, doi. 10.1002/qua.560180513
- By:
- Publication type:
- Article
14
Inclusion of hydrogen p orbitals in the semiempirical calculation of NMR parameters. I. Influence on the FPT INDO spin-spin coupling constants.
- Published in:
- International Journal of Quantum Chemistry, 1980, v. 18, n. 5, p. 1175, doi. 10.1002/qua.560180506
- By:
- Publication type:
- Article