Volume 6; Issue 4

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International Journal of Quantum Chemistry
Volume 6; Issue 4

International Journal of Quantum Chemistry

Volume 6; Issue 4

1

Masthead

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 63 KB

english, 1972

2

Accurate calculation of Fourier transform of two-center Slater orbital products

Hendrik J. Monkhorst, Frank E. Harris

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 295 KB

english, 1972

3

Generalized Rayleigh–Schrödinger perturbation theory

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 107 KB

english, 1972

4

On the translation between MO and HL descriptions of co-ordination compounds

D. S. Farberov, A. N. Men

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 179 KB

english, 1972

5

An economic storage and processing method for two-electron integrals in LCAO-MO calculations

Frank P. Billingsley II

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 369 KB

english, 1972

6

Structure electronique des complexes acide-base de Lewis. I. Structure electronique et conformation moléculaire des molécules F3P·BH3 et F2HP·BH3

J.-F. Labarre, C. Leibovici

Journal:

International Journal of Quantum Chemistry

Year:

1972

File:

PDF, 438 KB

1972

7

Variational bounds for imaginary frequency polarizability and dispersion interaction constant

P. A. Braun, T. K. Rebane

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 313 KB

english, 1972

8

An extended Hartree-Fock method using corresponding orbitals: Application to lithium hydride

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 189 KB

english, 1972

9

Theoretical studies of diamagnetic properties of the hydrogen molecule ion. I. Approximate variation-perturbation calculation

Thomas B. Garrett, Daniel Zeroka

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 431 KB

english, 1972

10

Theoretical studies of diamagnetic properties of the hydrogen molecule ion II. Effect of varying internuclear separation

Thomas B. Garrett, Daniel Zeroka

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 276 KB

english, 1972

11

Calculation of molecular quadrupole moments and a demonstration of the importance of overlap densities in the theory of polyatomic molecules

James R. Rabinowitz, Robert Rein

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 648 KB

english, 1972

12

On formulas in closed form for Van Vleck expansions

Journal:

International Journal of Quantum Chemistry

Year:

1972

File:

PDF, 761 KB

1972

13

The Renner effect in four-atomic molecules

A. N. Petelin, A. A. Kiselev

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 599 KB

english, 1972

14

Simple perturbation and perturbation-variation treatments of the 1sσg and 2pσu states of H

Eleanor W. Tung, William A. Sanders

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 360 KB

english, 1972

15

The symmetrized powers of group representations

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 855 KB

english, 1972

16

Molecular orbitals of zinc phthalocyanine

S. C. Mathur, Jai Singh

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 519 KB

english, 1972

17

The n-electron problem and matrices representing the symmetric groups

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 641 KB

english, 1972

18

Decoupled Hartree–Fock methods. I. Calculations for atoms with orthogonalized orbitals

G. Náray-Szabó

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 271 KB

english, 1972

19

Examination of the semi-classical theory of circular dichroism

Anthony J. Duben

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 253 KB

english, 1972

20

Intermediate Hamiltonians for the lithium atom

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 186 KB

english, 1972

21

The computation of density matrix values in configuration space

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 180 KB

english, 1972

22

Announcements

Journal:

International Journal of Quantum Chemistry

Year:

1972

Language:

english

File:

PDF, 46 KB

english, 1972