Works matching IS 00207608 AND DT 1980 AND VI 17 AND IP 4

Results: 20

Density of non-Bloch electron states in perfect cubic crystals.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 697, doi. 10.1002/qua.560170411

By:

Bulski, T.;
Olszewski, S.;
Wierzbicki, A.

Publication type:

Article

Study of pair correlation in three-electron atoms.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 619, doi. 10.1002/qua.560170404

By:

Ho, Fat D.;
Sanders, Frank C.

Publication type:

Article

Slater-orbital molecular integrals by numerical Fourier-transform methods. II. Four-center integrals over is orbitals.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 747, doi. 10.1002/qua.560170415

By:

Graovac, Ante;
Kovačević, Krešimir;
Maksi, Zvonimir B.;
Veseli, Ahmet

Publication type:

Article

Absorption UV spectroscopy and electronic structure of ionic and tautomeric forms of hydroxy and methoxy derivatives of cytosine and adenine, and of some 5-substituted analogs of pyrimidines.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 803, doi. 10.1002/qua.560170419

By:

Borodavkin, A. V.;
Chekhov, V. O.;
Dolin, Yu. S.;
Morozov, Yu. V.;
Savin, F. A.;
Budowsky, E. I.;
Yakovlev, D. Yu.

Publication type:

Article

Dynamic multipole polarizabilities of atomic systems.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 673, doi. 10.1002/qua.560170408

By:

Easa, S. I.;
Shukla, G. C.

Publication type:

Article

Use of the Hiller-Sucher-Feinberg identity for spin-density calculations.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 689, doi. 10.1002/qua.560170410

By:

Harriman, John E.

Publication type:

Article

Further analysis of the iterative hypervirial-scaling method.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 609, doi. 10.1002/qua.560170403

By:

Fernández, Francisco M.;
Castro, Eduardo A.

Publication type:

Article

Variational principle for obtaining approximate analytical solutions of the temperature-perturbed Thomas-Fermi equation for compressed atoms.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 737, doi. 10.1002/qua.560170414

By:

Csavinszky, P.;
Tarr, C. E.;
Vosman, F.

Publication type:

Article

Active-site α-helix in papain and the stability of the ion pair RS− ··· ImH+. Ab initio molecular orbital study.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 651, doi. 10.1002/qua.560170407

By:

van Duijnen, P. Th.;
Thole, B. Th.;
Broer, Ria;
Nieuwpoort, W. C.

Publication type:

Article

Behavior of the electron density near an impurity.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 799, doi. 10.1002/qua.560170418

By:

Adawi, I.

Publication type:

Article

π-Orbital electron-energy contributions to chemical reaction heats, I. Reactions involving only linear molecules containing up to three first-row atoms.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 599, doi. 10.1002/qua.560170402

By:

George, Philip;
Trachtman, Mendel;
Bock, Charles W.

Publication type:

Article

SCF Theory of multiplet states.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 725, doi. 10.1002/qua.560170413

By:

Carbó, R.;
Domingo, Ll.;
Gregori, J.

Publication type:

Article

Investigation of tertiary structure of a series of DNA compact forms by the small-angle X-ray scattering method.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 813, doi. 10.1002/qua.560170420

By:

Polivtsev, O. F.;
Osika, V. D.;
Tsvankin, D. Ya.

Publication type:

Article

Notes on hydrogenic Gaussian lobe functions.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 631, doi. 10.1002/qua.560170405

By:

Hoor, Marten J. Ten

Publication type:

Article

Theoretical study of some Van der Waals molecules.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 775, doi. 10.1002/qua.560170417

By:

Kołos, W.;
Corongiu, G.;
Clementi, E.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. fmi, doi. 10.1002/qua.560170401
Publication type:: Article

Ab initio calculation of ESCA satellite intensities for a copper-chlorine complex.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 719, doi. 10.1002/qua.560170412

By:

Larsson, S.;
de Mello, P. Corrêa;
Hehenberger, M.

Publication type:

Article

Electron correlation effects in SCF+ CI wave functions-Fermi and coulomb correlation holes in HCN.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 759, doi. 10.1002/qua.560170416

By:

Cooper, Ian L.;
Pounder, Christopher N. M.

Publication type:

Article

Second-order dispersion energy between interacting hydrogen pairs by using the Borel integral.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 643, doi. 10.1002/qua.560170406

By:

Yousif, F. N.;
Shukla, G. C.

Publication type:

Article

Possible generalization of the optimized diatomics-in molecules theory: Further studies of the diatomic state mixing parameter adjustment.

Published in:

International Journal of Quantum Chemistry, 1980, v. 17, n. 4, p. 679, doi. 10.1002/qua.560170409

By:

Zaitsevskii, A. V.;
Nemukhin, A. V.;
Stepanov, N. F.

Publication type:

Article