Works matching IS 00207608 AND DT 1980 AND VI 17 AND IP 6

Results: 19

How similar is a molecule to another? An electron density measure of similarity between two molecular structures.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1185, doi. 10.1002/qua.560170612

By:

Carbó, Ramon;
Leyda, Luis;
Arnau, Mariano

Publication type:

Article

Gaussian expansions of hydrogenic functions involving few variational parameters.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1099, doi. 10.1002/qua.560170606

By:

Hoor, Marten J. Ten

Publication type:

Article

Nonrigidity effects of fragments of membrane-active complexons.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1229, doi. 10.1002/qua.560170617

By:

Kryachko, Eugene S.;
Kruglyak, Yuri A.;
Dalton, Bryan J.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. fmi, doi. 10.1002/qua.560170601
Publication type:: Article

New method for approximate Hartree-Fock calculations using density approximations and coulomb field corrections. II.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1125, doi. 10.1002/qua.560170608

By:

Noack, Wolf-Eckart

Publication type:

Article

Ab initio calculations on large molecules using molecular fragments. Generalization of the molecular fragment basis at the minimum basis set level.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1075, doi. 10.1002/qua.560170605

By:

Spangler, Dale;
Christoffersen, Ralph E.

Publication type:

Article

Behavior of molecular potential energy curves for large nuclear separations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1143, doi. 10.1002/qua.560170609

By:

Morgan, John D.;
Simon, Barry

Publication type:

Article

Optical oscillator strengths for lithium.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1179, doi. 10.1002/qua.560170611

By:

Ganas, P. S.

Publication type:

Article

Nonadditivity of the SCF interaction energy in the (LiH)3 complex.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1069, doi. 10.1002/qua.560170604

By:

Szczȩśniak, Małgorzata M.;
Ratajczak, Henryk

Publication type:

Article

Electronic interactions of N-methyl- N-nitrosourea with DNA and its chemical modifications.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1221, doi. 10.1002/qua.560170616

By:

Kuropteva, Z. V.;
Pulatova, M. K.;
Smotryaeva, M. A.;
Kruglyakova, K. E.

Publication type:

Article

Nature of DNA interactions with cations: UV Spectroscopic investigations and Marcus theory.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1213, doi. 10.1002/qua.560170615

By:

Bregadze, V. G.

Publication type:

Article

Approximate relationship for isoelectronic changes in atomic average electron density.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1241, doi. 10.1002/qua.560170619

By:

Sen, K. D.

Publication type:

Article

Projected surface energy bands, Shockley surface states, and bonding in transition-metal monocompounds with rock-salt structure: Example of NbC.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1167, doi. 10.1002/qua.560170610

By:

Tomášek, Mojmír;
Pick, Štěpán

Publication type:

Article

Pair density analysis of semiempirical wave functions: Study of water molecule including environmental effects.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1047, doi. 10.1002/qua.560170603

By:

Constanciel, R.;
Gritli, H.

Publication type:

Article

Criteria of accuracy of resonance eigenvalues.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1201, doi. 10.1002/qua.560170614

By:

Moiseyev, Nimrod;
Weinhold, Frank

Publication type:

Article

New method for approximate Hartree-Fock calculations using density approximations and coulomb field corrections. I.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1111, doi. 10.1002/qua.560170607

By:

Noack, Wolf-Eckart

Publication type:

Article

Selected valence electron split-shell MO calculations on Cu2, Ag2, and Au2.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1237, doi. 10.1002/qua.560170618

By:

Sannigrahi, A. B.;
De, B. R.

Publication type:

Article

Biological effects of magnetic fields and cooperative phenomena.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1043, doi. 10.1002/qua.560170602

By:

Ducla-Soares, Eduardo

Publication type:

Article

Quantum model for transport through membranes.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 6, p. 1191, doi. 10.1002/qua.560170613

By:

Ibáñtez-Mengual, J. A.;
Tejerina-García, A. F.

Publication type:

Article

Works matching IS 00207608 AND DT 1980 AND VI 17 AND IP 6

How similar is a molecule to another? An electron density measure of similarity between two molecular structures.

Gaussian expansions of hydrogenic functions involving few variational parameters.

Nonrigidity effects of fragments of membrane-active complexons.

Masthead.

New method for approximate Hartree-Fock calculations using density approximations and coulomb field corrections. II.

Ab initio calculations on large molecules using molecular fragments. Generalization of the molecular fragment basis at the minimum basis set level.

Behavior of molecular potential energy curves for large nuclear separations.

Optical oscillator strengths for lithium.

Nonadditivity of the SCF interaction energy in the (LiH)<sub>3</sub> complex.

Electronic interactions of N-methyl- N-nitrosourea with DNA and its chemical modifications.

Nature of DNA interactions with cations: UV Spectroscopic investigations and Marcus theory.

Approximate relationship for isoelectronic changes in atomic average electron density.

Projected surface energy bands, Shockley surface states, and bonding in transition-metal monocompounds with rock-salt structure: Example of NbC.

Pair density analysis of semiempirical wave functions: Study of water molecule including environmental effects.

Criteria of accuracy of resonance eigenvalues.

New method for approximate Hartree-Fock calculations using density approximations and coulomb field corrections. I.

Selected valence electron split-shell MO calculations on Cu<sub>2</sub>, Ag<sub>2</sub>, and Au<sub>2</sub>.

Biological effects of magnetic fields and cooperative phenomena.

Quantum model for transport through membranes.