Works matching IS 00207608 AND DT 1977 AND VI 12 AND IP 5

Results: 18

Exact calculations of Franck-Condon overlaps and of matrix elements of some potentials by means of the coherent state representation.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 859, doi. 10.1002/qua.560120509

By:

Nishikawa, Kiyoshi

Publication type:

Article

On the convergence of one-centre partial wave treatments for diatomic molecules. II. Heteronuclear one-electron diatomic molecules using the 1 sσ, 2 sσ, 3 sσ, 2 pσ, 3 pσ, and 3 pσ, states of HeH++ as models

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 897, doi. 10.1002/qua.560120511

By:

Ali, M. K.;
Meath, W. J.

Publication type:

Article

PCILO calculations on hydrogen bonded complexes. Dimers involving second row atoms.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 805, doi. 10.1002/qua.560120504

By:

Weller, Th.

Publication type:

Article

Differential scaling of σ and π orbitals, and the geometric approximation for molecular polarizabilities.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 963, doi. 10.1002/qua.560120515

By:

Howat, G.;
Trsic, M.;
Goscinski, O.

Publication type:

Article

Calculation of molecular crystals within the PCILOCC framework.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 851, doi. 10.1002/qua.560120508

By:

Lochmann, R.

Publication type:

Article

An algebraic approach to bound states of simple one-electron systems.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 875, doi. 10.1002/qua.560120510

By:

Čížek, J.;
Paldus, J.

Publication type:

Article

Problems of the calculation of intermolecular interactions on complexes with strong delocalized π-bonds within the PCILO framework.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 795, doi. 10.1002/qua.560120503

By:

Lochmann, R.

Publication type:

Article

Molecular calculations with the MODPOT, VRDDO, and MODPOT/ VRDDO procedures. IV. Boron hydrides and carboranes.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 937, doi. 10.1002/qua.560120514

By:

Popkie, Herbert E.;
Kaufman, Joyce J.

Publication type:

Article

PCILO calculations on hydrogen bonded complexes.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 841, doi. 10.1002/qua.560120507

By:

Lochmann, R.

Publication type:

Article

Announcements.

Published in:: International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 969, doi. 10.1002/qua.560120518
Publication type:: Article

On some specific properties of systems endowed with dipole-dipole interactions.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 785, doi. 10.1002/qua.560120502

By:

Knežević, G.;
Marinković, M.;
TošIć, B.

Publication type:

Article

Breit-type three-electron equation in the Pauli approximation.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 925, doi. 10.1002/qua.560120513

By:

Rai, D. K.;
Ladik, J.

Publication type:

Article

A new algorithm for the symmetric (Löwdin) orthonormalization.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 827, doi. 10.1002/qua.560120506

By:

Scharfenberg, Peter

Publication type:

Article

Introduction to the Electron Theory of Small Molecules. A. C. Hurley. Academic Press, London, England, 1976. X + 329 pp. Price: £12.00.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 967, doi. 10.1002/qua.560120517

By:

Combs, Leon L.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. fmi, doi. 10.1002/qua.560120501
Publication type:: Article

Electronic absorption spectra of V2O5.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 915, doi. 10.1002/qua.560120512

By:

Lazukova, N. I.;
Gubanov, V. A.;
Mokerov, V. G.

Publication type:

Article

Selected valence electron SCF MO calculations on alkali metal diatomics.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 813, doi. 10.1002/qua.560120505

By:

Mohammad, S. Noor

Publication type:

Article

Electron Correlation in Small Molecules. A. C. Hurley. Academic Press, London, England, 1976. VIII + 276 pp. Price: £10.50.

Published in:

International Journal of Quantum Chemistry, 1977, v. 12, n. 5, p. 967, doi. 10.1002/qua.560120516

By:

Combs, Leon L.

Publication type:

Article

Works matching IS 00207608 AND DT 1977 AND VI 12 AND IP 5

Exact calculations of Franck-Condon overlaps and of matrix elements of some potentials by means of the coherent state representation.

On the convergence of one-centre partial wave treatments for diatomic molecules. II. Heteronuclear one-electron diatomic molecules using the 1 sσ, 2 sσ, 3 sσ, 2 pσ, 3 pσ, and 3 pσ, states of HeH<sup>++</sup> as models

PCILO calculations on hydrogen bonded complexes. Dimers involving second row atoms.

Differential scaling of σ and π orbitals, and the geometric approximation for molecular polarizabilities.

Calculation of molecular crystals within the PCILOCC framework.

An algebraic approach to bound states of simple one-electron systems.

Problems of the calculation of intermolecular interactions on complexes with strong delocalized π-bonds within the PCILO framework.

Molecular calculations with the MODPOT, VRDDO, and MODPOT/ VRDDO procedures. IV. Boron hydrides and carboranes.

PCILO calculations on hydrogen bonded complexes.

Announcements.

On some specific properties of systems endowed with dipole-dipole interactions.

Breit-type three-electron equation in the Pauli approximation.

A new algorithm for the symmetric (Löwdin) orthonormalization.

Introduction to the Electron Theory of Small Molecules. A. C. Hurley. Academic Press, London, England, 1976. X + 329 pp. Price: £12.00.

Masthead.

Electronic absorption spectra of V<sub>2</sub>O<sub>5</sub>.

Selected valence electron SCF MO calculations on alkali metal diatomics.

Electron Correlation in Small Molecules. A. C. Hurley. Academic Press, London, England, 1976. VIII + 276 pp. Price: £10.50.