Masthead.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. fmi, doi. 10.1002/qua.560060501
- Publication type:
- Article
Works matching IS 00207608 AND DT 1972 AND VI 6 AND IP 5
Results: 16
1
2
Theoretical calculations on σ-systems. III. Alkyl halides and alkanes.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 935, doi. 10.1002/qua.560060512
- By:
- Publication type:
- Article
3
Quasi-relativistic approximation in the SCF-MO-LCAO method.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 849, doi. 10.1002/qua.560060505
- By:
- Publication type:
- Article
4
An alternative formalism for the method of intermediate Hamiltonians.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 989, doi. 10.1002/qua.560060516
- By:
- Publication type:
- Article
5
A perturbed generalized eigenvalue equation for the hydrogen molecular ion.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 911, doi. 10.1002/qua.560060509
- By:
- Publication type:
- Article
6
A theory for the construction of the irreducible representations of finite groups.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 925, doi. 10.1002/qua.560060511
- By:
- Publication type:
- Article
7
Eigenspace manipulation in SCF theory.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 843, doi. 10.1002/qua.560060504
- By:
- Publication type:
- Article
8
Vibrational matrix elements of the quadrupole moment functions of H<sub>2</sub>, N<sub>2</sub> and CO.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 975, doi. 10.1002/qua.560060515
- By:
- Publication type:
- Article
9
Valence-Bond calculations and matrix elements between two tableau functions of non-orthogonal orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 899, doi. 10.1002/qua.560060508
- By:
- Publication type:
- Article
10
The electronic states of icosahedral molecules.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 919, doi. 10.1002/qua.560060510
- By:
- Publication type:
- Article
11
Unrestricted Hartree-Fock calculations of spin densities with orthogonalized atomic orbitals: Proton and <sup>13</sup>C hyperfine splittings in some pi hydrocarbon radicals.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 819, doi. 10.1002/qua.560060503
- By:
- Publication type:
- Article
12
Localized orbital calculations of the bonding in SO.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 967, doi. 10.1002/qua.560060514
- By:
- Publication type:
- Article
13
Analysis of reduced density matrices in the co-ordinate representation. III. Electron density and correlation in the ground states of H<sub>2</sub> and the H<sub>6</sub> ring system within some approximations of the simple LCAO type.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 881, doi. 10.1002/qua.560060507
- By:
- Publication type:
- Article
14
Studies on Rydberg orbitals. IV. Basic formulas for the one-electron perturbation calculation of molecular Rydberg excited states.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 801, doi. 10.1002/qua.560060502
- By:
- Publication type:
- Article
15
A floating one centre perturbation treatment for H.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 949, doi. 10.1002/qua.560060513
- By:
- Publication type:
- Article
16
Molecular-orbital calculations on transition metal complexes, charge-transfer spectra and the sequence of metal and ligand orbitals.
- Published in:
- International Journal of Quantum Chemistry, 1972, v. 6, n. 5, p. 859, doi. 10.1002/qua.560060506
- By:
- Publication type:
- Article