Works matching IS 00207608 AND DT 1979 AND VI 16

Results: 218

Diagram approach to character formulas for finite and compact groups.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1161, doi. 10.1002/qua.560160602

By:

Kibler, M.;
Elbaz, E.

Publication type:

Article

Equations-of-motion method: Calculation of the k lowest or highest solutions.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1347, doi. 10.1002/qua.560160613

By:

Flament, J. P.;
Gervais, H. P.

Publication type:

Article

Collinear collision of an atom with a homonuclear diatomic molecule.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1249, doi. 10.1002/qua.560160606

By:

van Dijk, W.;
Razavy, M.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. fmi, doi. 10.1002/qua.560160601
Publication type:: Article

Free-electron molecular-orbital treatment of chalcone group of dyes.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1337, doi. 10.1002/qua.560160612

By:

Basu, Biswajit;
Tiwari, R. D.;
Dey, Arun K.

Publication type:

Article

Dispersion interaction between helium pair from hydrodynamic analogy to quantum mechanics.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1239, doi. 10.1002/qua.560160605

By:

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

Publication type:

Article

Composition of the partial wave expansion as a parameter in the MSXα scheme.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1301, doi. 10.1002/qua.560160609

By:

Rosenkrantz, Marcy E.;
Konowalow, Daniel D.

Publication type:

Article

Configuration interaction matrix elements. II. Graphical approach to the relationship between unitary group generators and permutations.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1321, doi. 10.1002/qua.560160611

By:

Paldus, J.;
Wormer, P. E. S.

Publication type:

Article

Polarization Green's function with multiconfiguration self-consistent-field reference states.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1209, doi. 10.1002/qua.560160604

By:

Banerjee, Ajit;
Kenney, John W.;
Simons, Jack

Publication type:

Article

Transferable integrals in a deformation-density approach to crystal orbital calculations. II.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1279, doi. 10.1002/qua.560160608

By:

Avery, John;
Berg, Erik

Publication type:

Article

Configuration interaction matrix elements. I. Algebraic approach to the relationship between unitary group generators and permutations.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1307, doi. 10.1002/qua.560160610

By:

Wormer, P. E. S.;
Paldus, J.

Publication type:

Article

Subduction coefficients for 〈2 N/2- S, 12 S〉 ↓ 〈2.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1195, doi. 10.1002/qua.560160603

By:

Sarma, C. R.;
Dinesha, K. V.

Publication type:

Article

Effective utilization of off-diagonal hypervirial relations considering diagonal hypervirial relation: Harmonic oscillator case.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1357, doi. 10.1002/qua.560160614

By:

Sakamoto, Kazuyoshi;
Terasaka, Toshitaka

Publication type:

Article

Transferable integrals in a deformation-density approach to crystal orbital calculations. I.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 6, p. 1265, doi. 10.1002/qua.560160607

By:

Avery, John

Publication type:

Article

Electronic structure, spectra, and mechanism of photodimerization of pyrimidine bases.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1051, doi. 10.1002/qua.560160510

By:

Srivastava, S. K.;
Mishra, P. C.

Publication type:

Article

Difficulties in the computation of physical observables due to a truncated CI.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 955, doi. 10.1002/qua.560160503

By:

Meunier, A.;
Levy, B.

Publication type:

Article

Improved minimization for the Hylleraas six-parameter wave function.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1149, doi. 10.1002/qua.560160514

By:

Jolly, Pratibha

Publication type:

Article

Dependence of approximate ab initio molecular loge sizes on the quality of basis functions.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1009, doi. 10.1002/qua.560160507

By:

Mezey, Paul G.;
Daudel, Raymond;
Csizmadia, Imre G.

Publication type:

Article

Quadrupole moments, dipole quadrupole A and quadrupole C polarizabilities by means of perturbation theory.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 939, doi. 10.1002/qua.560160502

By:

Espinoza, LL.;
Toro, A.;
Fuentealba, P.

Publication type:

Article

Tautomerism of oxopyridines and oxopyrimidines: Theoretical study with complete optimization of geometry.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1141, doi. 10.1002/qua.560160513

By:

Czermiński, R.;
Lesyng, B.;
Pohorille, A.

Publication type:

Article

Analytic perturbation theory and localization phenomena.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 993, doi. 10.1002/qua.560160506

By:

Brändas, E. J.;
Obcemea, C. H.

Publication type:

Article

Masthead.

Published in:: International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. fmi, doi. 10.1002/qua.560160501
Publication type:: Article

Electronic rearrangements during chemical reactions. II. Planar dissociation of ethylene.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1103, doi. 10.1002/qua.560160512

By:

Cheung, L. M.;
Sundberg, K. R.;
Ruedenberg, K.

Publication type:

Article

Continuum contribution to polarizabilities and scaling.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 985, doi. 10.1002/qua.560160505

By:

Canuto, Sylvio;
Goscinski, Osvaldo

Publication type:

Article

Crystals as giant molecules. Lecture notes in chemistry, no. 9. by A. Julg. Springer-Verlag, Berlin, 1978. 142 pp.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1157, doi. 10.1002/qua.560160516

By:

Calais, Jean-Louis

Publication type:

Article

Valence-bond studies of four-electron three-center bonding units. II. FNO, HNO, LiNO, LiON, and HF2−.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1033, doi. 10.1002/qua.560160509

By:

Harcourt, Richard D.;
Roso, Walter

Publication type:

Article

MCSCF optimization through combined use of natural orbitals and the brillouin-levy-berthier theorem.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1069, doi. 10.1002/qua.560160511

By:

Ruedenberg, K.;
Cheung, L. M.;
Elbert, S. T.

Publication type:

Article

Thermodynamic functions for vibronic systems.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 973, doi. 10.1002/qua.560160504

By:

Crotov, S. S.;
Ischenko, A. A.;
Ivashkevich, L. S.

Publication type:

Article

Triplet instability in semiempirical RPA calculations of conjugated systems containing heteroatoms.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1151, doi. 10.1002/qua.560160515

By:

Sannigrahi, A. B.;
Niyogi, B. Guha

Publication type:

Article

Study of the muffin-tin approximation in the multiple-scattering method.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 5, p. 1021, doi. 10.1002/qua.560160508

By:

Ferreira, Luiz G.;
Fazzio, Adalberto;
Closs, Huberto;
Brescansin, Luiz M.

Publication type:

Article

Torsional isomerization of biologically active bicyclic molecules.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 839, doi. 10.1002/qua.560160416

By:

Bolotin, Adolph B.;
Bolotin, Victor A.;
Gineityte, Victoria L.

Publication type:

Article

Electron-conformational interactions and functioning of enzyme molecules.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 777, doi. 10.1002/qua.560160409

By:

Volkenstein, M. V.;
Golovanov, I. B.;
Sobolev, V. M.

Publication type:

Article

Modeling of the short-range order for polymers by the ideal peak method.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 799, doi. 10.1002/qua.560160411

By:

Shilov, V. V.;
Kruglyak, N. E.;
Lipatov, Yu. S.

Publication type:

Article

Orbit-orbit interaction in the NO-Fe(II)Hemoproteins studied by the low-temperature magnetic circular dichroism: Dynamic Jahn-Teller effect detected by MCD.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 883, doi. 10.1002/qua.560160422

By:

Mineyev, A. P.;
Sharonov, Yu. A.;
Sharonova, N. A.;
Figlovsky, V. A.

Publication type:

Article

Photoinduced electron transport across protein-containing membranes.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 739, doi. 10.1002/qua.560160404

By:

Marinov, B. S.

Publication type:

Article

Theoretical study of electronic spectra of the DNA bases.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 833, doi. 10.1002/qua.560160415

By:

Kuprievich, V. A.;
Shramko, O. V.

Publication type:

Article

Estimation of some parameters of the exchange mechanism of luminescence decay.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 931, doi. 10.1002/qua.560160426

By:

Bazhin, N. M.;
Yakobson, B. I.;
Burshtein, A. I.

Publication type:

Article

Interrelations between electronic structure and spatial geometry of specific ligands in the functioning active site of some pyridoxal- p-dependent enzymes.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 769, doi. 10.1002/qua.560160408

By:

Almazov, V. P.;
Morozov, Yu. V.;
Savin, F. A.;
Sukhareva, B. S.

Publication type:

Article

Simulation of intermolecular and intramolecular interactions of nucleic acid subunits by means of atom-atom potential functions.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 863, doi. 10.1002/qua.560160419

By:

Poltev, V. I.

Publication type:

Article

Interfragment interactions in peptide molecules.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 791, doi. 10.1002/qua.560160410

By:

Volkenstein, M. V.;
Golovanov, I. B.;
Sobolev, V. M.

Publication type:

Article

Mechanisms of charge separation in bacterial photosynthesis.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 877, doi. 10.1002/qua.560160421

By:

Kharkyanen, V. N.;
Khristoforov, L. N.;
Kukhtin, V. V.;
Petrov, E. G.

Publication type:

Article

Quantitative approach to conformations of proteins.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 707, doi. 10.1002/qua.560160403

By:

Popov, E. M.

Publication type:

Article

Electronic structure of the pyrimidine and purine components of nucleic acids in their ground and lower excited singlet and triplet states.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 825, doi. 10.1002/qua.560160414

By:

Savin, F. A.;
Morozov, Yu. V.;
Borodavkin, A. V.;
Chekhov, V. O.;
Budowsky, E. I.;
Simukova, N. A.

Publication type:

Article

Metabolic activation of chemical carcinogens and binding of metabolites with nucleic acid bases.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 917, doi. 10.1002/qua.560160425

By:

Nagata, Chikayoshi;
Kodama, Masahiko;
Kimura, Teruyuki;
Yamaguchi, Tamié

Publication type:

Article

Theory of electron transfer in donor-acceptor pairs.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 761, doi. 10.1002/qua.560160407

By:

Zasukha, V. A.;
Volkov, S. V.

Publication type:

Article

Conditions of formation of liquid crystals from biopolymer solutions.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 857, doi. 10.1002/qua.560160418

By:

Khokhlov, A. R.

Publication type:

Article

Solvation of nonpolar groups of biomacromolecules.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 869, doi. 10.1002/qua.560160420

By:

Sarkisov, G. N.;
Agrafonov, Yu. V.;
Martynov, G. A.

Publication type:

Article

Excitons and Bose-Einstein condensation in living systems.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 691, doi. 10.1002/qua.560160402

By:

Mishra, R. K.;
Bhaumik, K.;
Mathur, S. C.;
Mitra, S.

Publication type:

Article

Determination of the secondary structures of proteins by circular dichroism spectra. Calculation of the protein basic circular dichroism spectra for antiparallel and parallel β-structures and β-bends.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 819, doi. 10.1002/qua.560160413

By:

Bolotina, I. A.;
Chekhov, V. O.;
Lugauskas, V. Yu.

Publication type:

Article

Interaction of water with DNA single and double helix in the B conformation.

Published in:

International Journal of Quantum Chemistry, 1979, v. 16, n. 4, p. 897, doi. 10.1002/qua.560160424

By:

Clementi, E.;
Corongiu, G.

Publication type:

Article