Etude théorique de la structure électronique du dihydrure de titane par la méthode des amasNEMOSHKALENKO, V. V; KUCHERENKO, YU. N; SHELUDCHENKO, L. M et al.Metallofizika (Kiev). 1986, Vol 8, Num 4, pp 28-31, issn 0204-3580Article

Bonding in metal hexacarbonylsARRATIA-PEREZ, R; YANG, C. Y.The Journal of chemical physics. 1985, Vol 83, Num 8, pp 4005-4014, issn 0021-9606Article

Prise en compte du recouvrement des sphères atomiques dans la méthode Xα-SWGURSKIJ, L. I; SMOL'SKIJ, V. P; TRALLE, I. E et al.Vesci Akademii navuk BSSR. Seryâ fizika-matematyčnyh navuk. 1984, Num 6, pp 66-72, issn 0002-3574Article

Valence electronic structures of the organouranium complexes (η⁵-C₅H₅)₂UX₂ (X=Cl, CH₃)BURSTEN, B. E; FANG, A.Journal of the American Chemical Society. 1983, Vol 105, Num 21, pp 6495-6496, issn 0002-7863Article

An SCF-Xα-SW cluster study on the electronic structure of a-Si and a-SiHTOMASSINI, N; AMORE BONAPASTA, A; LAPICCIRELLA, A et al.Journal of non-crystalline solids. 1989, Vol 109, Num 1, pp 133-139, issn 0022-3093Article

Electronic structure of tungsten hexacarbonylYANG, C. Y; ARRATIA-PEREZ, R; LOPEZ, J. P et al.Chemical physics letters. 1984, Vol 107, Num 2, pp 112-116, issn 0009-2614Article

Electronic structures of the (η⁵-C₅H₅)₂TiL₂ complexes (L=F, Cl, Br, I, CH₃)BRUCE, M. R. M; KENTER, A; TYLER, D. R et al.Journal of the American Chemical Society. 1984, Vol 106, Num 3, pp 639-644, issn 0002-7863Article

Iterative coupling of partitioned clusters in the scattered-wave molecular-orbital methodLEON, F. A; JOHNSON, K. H.Chemical physics letters. 1984, Vol 110, Num 1, pp 49-53, issn 0009-2614Article

Rydberg transitions in the ammonium radical: scattered-wave local-spin-density calculationsKASPAR, J; SMITH, V. H. JR.Chemical physics. 1984, Vol 90, Num 1-2, pp 47-53, issn 0301-0104Article

SCFXα-SW ionization energies of XNO (X=Cl, F and Br) and XON (X=Cl, and F)TAKEUCHI, T.Journal of electron spectroscopy and related phenomena. 1986, Vol 40, Num 1, pp 27-33, issn 0368-2048Article

Theoretical analysis of the chemical activity of noble gas atoms in siliconGAGARIN, S. G; MUDRYI, A. V; PUSHKARCHUK, A. L et al.Physica status solidi. B. Basic research. 1986, Vol 133, Num 2, pp 499-503, issn 0370-1972Article

Quasirelativistic SCF-Xα scattered-wave study of uranocene, thorocene, and ceroceneRÖSCH, N; STREITWIESER, A. JR.Journal of the American Chemical Society. 1983, Vol 105, Num 25, pp 7237-7240, issn 0002-7863Article

Etude de la structure électronique de l'oxyde de palladium par spectrométrie de photoélectrons (RX) et calculs quantiquesGAGARIN, S. G; TETERIN, YU. A; KOVTUN, A. P et al.Žurnal neorganičeskoj himii. 1983, Vol 28, Num 11, pp 2750-2755, issn 0044-457XArticle

Electronic structure of clusters modeling silicaLOPEZ, J. P; YANG, C. Y; HELMS, C. R et al.Journal of computational chemistry. 1987, Vol 8, Num 3, pp 198-203, issn 0192-8651Article

Structure électronique des formes cationiques du neptunium heptavalentSPITSYN, V. I; IONOVA, G. V; KISELEVA, A. A et al.Žurnal neorganičeskoj himii. 1986, Vol 31, Num 6, pp 1492-1497, issn 0044-457XArticle

Calculation of photoelectron spectra of the trihalides of group V elementsMIN XIN; LUE-YUNG CHOW CHIU; DU LI et al.Journal of electron spectroscopy and related phenomena. 1984, Vol 33, Num 2, pp 93-105, issn 0368-2048Article

Photoionization spectra and electronic structure of small iron clustersROHLFING, E. A; COX, D. M; KALDOR, A et al.The Journal of chemical physics. 1984, Vol 81, Num 9, pp 3846-3851, issn 0021-9606Article

New formalism for the SCF-Xα-SW model with application to large molecular systems or atomic clustersWEI REN; LIU, Z; HO, H et al.Chemical physics letters. 1993, Vol 201, Num 1-4, pp 247-249, issn 0009-2614Article

1s Core-level shifts of al and ar atoms in aluminum clustersVARGA, Z; GYEMANT, I. K.International journal of quantum chemistry. 1990, Vol 38, Num 2, pp 351-356, issn 0020-7608, 6 p.Article

Xα-SW-Rechnungen an Trimethylaluminium und Trimethylboran = Calculs Xα-SW sur le triméthylaluminium et le triméthylborane = Xα-SW calculations for trimethylaluminium and trimethylboraneSCHILDER, H; SCHLEKER, W.Zeitschrift für Naturforschung. Teil A : Physik, physikalische Chemie, Kosmophysik. 1985, Vol 40, Num 12, pp 1265-1270, issn 0340-4811Article

Theoretical investigation of the dangling bond defects in hydrogenated amorphous silicon (a-Si:H) by the self-consistent-field X-alpha scattered-wave cluster molecular-orbital methodLO, C. F; JOHNSON, K. H; ADLER, D et al.Journal of non-crystalline solids. 1988, Vol 99, Num 1, pp 97-103, issn 0022-3093Article

Molecular orbital studies of bonding, photoelectron spectra, and photoionization transition states of bis(η-allyl)nickelHANCOCK, G. C; KOSTIC, N. M; FENSKE, R. F et al.Organometallics. 1983, Vol 2, Num 9, pp 1089-1098, issn 0276-7333Article

ETUDE DE LA STRUCTURE ELECTRONIQUE ET DES CARACTERISTIQUES SPECTRALES DU RADICAL METHYLE PAR LA METHODE SCF-XALPHAGUZIKEVICH AG; DEGTYAREV LS.1982; TEORETICESKAJA I EKSPERIMENTAL'NAJA HIMIJA; ISSN 0497-2627; UKR; DA. 1982; VOL. 18; NO 5; PP. 520-525; BIBL. 19 REF.Article

Electronic structure of bis(cyclopentadienyl) lanthanide compounds: photoelectron spectra and molecular orbital calculationsANDERSEN, R. A; BONCELLA, J. M; BURNS, C. J et al.Journal of the Chemical Society. Chemical communications. 1986, Num 5, pp 405-407, issn 0022-4936Article

Theoretical evidence for a paramagnetic ground state of the cluster ion [(η⁵-C₅Me₅)₃Re₃(μ₂-O)₆]²⁺HOFMANN, P; RÖSCH, N.Journal of the Chemical Society. Chemical communications. 1986, Num 11, pp 843-844, issn 0022-4936Article