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CALCUL QUANTOMECANIQUE DE LA VITESSE DE L'ECHANGE ELECTRONIQUE DANS LE SYSTEME MANGANATE-PERMANGANATEGORODYSKIJ AV; DVALI VG; DOGONADZE RR et al.1979; UKR. HIM. Z.; ISSN 0041-6045; UKR; DA. 1979; VOL. 45; NO 10; PP. 915-919; BIBL. 8 REF.Article

ETUDE QUANTOCHIMIQUE DU MECANISME DU STADE INITIAL DE LA REACTION D'OXYDATION DU TRIMETHYLBORE PAR L'OXYGENE MOLECULAIREVYSHINSKIJ NN; KOKOREV VN; ABRONIN IA et al.1977; DOKL. AKAD. NAUK S.S.S.R.; S.S.S.R.; DA. 1977; VOL. 236; NO 4; PP. 883-885; BIBL. 5 REF.Article

Calcul par la méthode LCAO MO de l'état lié de l'électron dans le champ d'un dipôle électriqueMIRONOV, S. L.Žurnal fizičeskoj himii. 1984, Vol 58, Num 11, pp 2861-2862, issn 0044-4537Article

Ground state structures of thiocyanogen and its cationSO, S. P.Journal of molecular structure. 1983, Vol 104, Num 1-2, pp 241-246, issn 0022-2860Article

An ab initio study of the hydrated positronBUGAENKO, V. L; GRISHKIN, V. L.Chemical physics letters. 1983, Vol 103, Num 3, pp 187-190, issn 0009-2614Article

The modified Hartree-Fock self-consistent field equationCONGHAO DENG.International journal of quantum chemistry. 1983, Vol 23, Num 6, pp 1979-1987, issn 0020-7608Article

SIGMA -FACTORISATION METHOD: A NEW DEVELOPMENT OF MOLECULAR-ORBITAL THEORIES BASED ON ONE-CENTRE APPROXIMATION OF ATOMIC AND MOLECULAR DENSITIESNIUKKANEN AW; GRIBOV LA.1983; THEORETICA CHIMICA ACTA; ISSN 0040-5744; DEU; DA. 1983; VOL. 62; NO 5; PP. 443-460; BIBL. 26 REF.Article

APPROCHE SUCCESSIVE DE LA CONSTRUCTION D'UN POTENTIEL MODELE POUR LES ELECTRONS DE VALENCEBAGATUR'YANTS AA; KUZ'MINSKIJ MB; ZHIDOMIROV GM et al.1981; Z. FIZ. HIM.; ISSN 0044-4537; SUN; DA. 1981; VOL. 55; NO 11; PP. 2752-2758; BIBL. 8 REF.Article

BASIS SET CONSIDERATIONS FOR THE CALCULATION OF GRADIENTS IN THE LCAO FORMALISMALMLOF J; HELGAKER T.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 83; NO 1; PP. 125-128; BIBL. 14 REF.Article

THE ELECTRONIC STRUCTURE OF POLYDIACETYLENES: CYCLIC VERSUS LINEAR MODELSBALASUBRAMANIAN K; YARKONY DR.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 70; NO 2; PP. 374-378; BIBL. 42 REF.Article

ETUDE DES CATIONS D'OXAZOLIUM PAR LA METHODE SCF LCAO MOVYSOTSKIJ YU B; KOVACH NA; SHVAJKA OP et al.1977; KHIM. GETEROCIKL. SOEDIN., LATV. S.S.R.; S.S.S.R.; DA. 1977; NO 9; PP. 1186-1191; BIBL. 15 REF.Article

APROXIMACIONES NO-EMPIRICAS EN LA TEORIA LCAO-MO: FUNDAMENTOS Y APLICACIONES. = APPROXIMATIONS NON EMPIRIQUES DE LA THEORIE LCAO-MO: FONDEMENTS ET APPLICATIONSCARBO R; ARNAU C.1978; AFINIDAD; ESP.; DA. 1978; VOL. 35; NO 354; PP. 171-179; ABS. ANGL. CATALAN; BIBL. 32 REF.Article

REALISATION DE LA "REGLE DE SOMMES" COMME CRITERE D'INVARIANCE DE GRADIENTBRAUN PA; REBANE TK.1978; TEOR. EKSPER. KHIM.; UKR; DA. 1978; VOL. 14; NO 6; PP. 732-737; BIBL. 9 REF.Article

SCF DISCRETE-VARIATIONAL XALPHA CALCULATIONS OF THE NH4CL AUGER SPECTRUMMICHAILOV GM; GUTSEV GL; BOROD'KO JG et al.1983; CHEMICAL PHYSICS LETTERS; ISSN 0009-2614; NLD; DA. 1983; VOL. 96; NO 1; PP. 70-75; BIBL. 24 REF.Article

THE ELECTRONIC STRUCTURES OF FLUORINATED POLYACETYLENES. A DESIGN OF NEW ORGANIC POLYMER ALTERNATIVES TO POLYACETYLENEYAMABE T; TANAKA K; TERAMA EH et al.1980; SYNTH. METALS; CHE; DA. 1980; VOL. 1; NO 3; PP. 321-327; BIBL. 14 REF.Conference Paper

CALCUL DES DERIVES PAR RAPPORT AUX PARAMETRES, A PARTIR DES ENERGIES MO ET DES COEFFICIENTS POUR AO DANS LES METHODES SCF LCAO MOAKHREM AA; GRUSHETSKIJ KM; SOKOLOV YU A et al.1978; VESCI AKAD. NAVUK B.S.S.R., KHIM. NAVUK; BYS; DA. 1978; NO 5; PP. 117-119; ABS. ENG; BIBL. 1 REF.Article

NATURE ELECTRONIQUE DE LA LABILITE DE LA LIAISON SIGMA TITANE-CARBONE DANS LES ALKYLHALOGENURES DE TITANE(IV)L'VOVSKIJ V EH.1978; KOORDIN. KHIM.; SUN; DA. 1978; VOL. 4; NO 11; PP. 1662-1669; BIBL. 30 REF.Article

ANALYSE DE POPULATION ET PROBLEME DE NON ORTHOGONALITE D'UNE BASE D'ORBITALES ATOMIQUES A N CENTRESSEMENOV SG.1977; VEST. LENINGRAD. UNIV.; S.S.S.R.; DA. 1977; NO 22; PP. 125-131; ABS. ANGL.; BIBL. 14 REF.Article

ELECTRONIC STRUCTURE OF SOME SIMPLE POLYMERS AND OF HIGHLY CONDUCTING AND BIOPOLYMERSLADIK J; SUHAI S; SEEL M et al.1981; A.C.S. SYMP. SER.; ISSN 0097-6156; USA; DA. 1981; NO 162; PP. 73-80; BIBL. 21 REF.Conference Paper

HARTREE-FOCK CALCULATION FOR DISORDERED POLYMERSDAY RS; MARTINO F.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 84; NO 1; PP. 86-90; BIBL. 20 REF.Article

EVALUATION OF PSEUDOPOTENTIAL INTEGRALS OVER GAUSSIAN LOBE BASIS FUNCTIONSBISKUPIC S; PELIKAN P.1980; COLLECT. CZECH. CHEM. COMMUN.; ISSN 0010-0765; CSK; DA. 1980; VOL. 45; NO 10; PP. 2724-2727; BIBL. 5 REF.Article

ETUDE DE LA POSSIBILITE D'ISOMERISATION DU RADICAL PHENYLE PAR LA METHODE NON EMPIRIQUE SCF LCAO MOBURMISTROV VN; KHUDYAKOV IV; KRISTENSEN A et al.1979; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; SUN; DA. 1979; NO 2; PP. 460-462; BIBL. 10 REF.Article

AB INITIO MOLECULAR ORBITAL CALCULATIONS ON THE WATER-CARBON DIOXIDE SYSTEM. THE REACTION OH-+CO2->HCO3-.JONSSON B; KARLSTROM G; WENNERSTROM H et al.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 6; PP. 1658-1661; BIBL. 25 REF.Article

RADIAL MOMENT ANALYSIS OF ISOVALENT HYBRIDIZATION IN N2.ALDRICH HS; AIKEN J; CUSACHS LC et al.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 955-960; ABS. FR. ALLEM.; BIBL. 11 REF.Article

IMPORTANCE OF THE LONG-RANGE CONTRIBUTIONS IN A POLYMER COMPUTATIONBREDAS JL.1980; LECTURE NOTES PHYS.; DEU; DA. 1980; NO 113; PP. 92-103; BIBL. 15 REF.Conference Paper

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