STROENIE MOLEKUL I KHIMICHESKAYA SVYAZ'. II. KVANTOVOKHIMICHESKIE RASCHETY SOEDINENIJ PERCKHODNYKH EHLEMENTOV. = STRUCTURE DES MOLECULES ET LIAISON CHIMIQUE. II. CALCULS DE CHIMIE QUANTIQUE POUR LES COMPOSES D'ELEMENTS DE TRANSITIONDYATKINA ME; ROZENBERG EL.1974; MOSKVA; VINITI; DA. 1974; PP. 1-138; BIBL. 3 P. 1/2; (ITOGI NAUKI TEKH.)Book

SELECTION OF SELF-CONSISTENT-FIELD ORBITALS.GILBERT TL.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 5; PP. 1789-1791; BIBL. 8 REF.Article

THEORETICAL STUDY OF THE DIELS-ALDER REACTIONBURKE LA; LEROY G; SANA M et al.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 40; NO 4; PP. 313-321; BIBL. 14 REF.Article

PRINCIPE ADIABATIQUE POUR LE PROBLEME SECULAIRE DE ROOTHAANGRIBOV LA; NICHKKANEN AV.1974; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1974; VOL. 15; NO 3; PP. 529-534; BIBL. 8 REF.Article

SELF-CONSISTENT LOCALIZED ORBITALS IN POLYATOMIC SYSTEMS.KAMBARA T.1975; J. PHYS. SOC. JAP.; JAP.; DA. 1975; VOL. 39; NO 1; PP. 187-194; BIBL. 16 REF.Article

STRONGLY BENT EXCITED STATES OF OZONE.GRIMBERT D; DEVAQUET A.1974; MOLEC. PHYS.; G.B.; DA. 1974; VOL. 27; NO 4; PP. 831-836; BIBL. 15 REF.Article

THEORETICAL STUDY OF THE AZIDO-TETRAZOLE ISOMERIZATIONBURKE LA; ELGUERO J; LEROY G et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 7; PP. 1685-1690; BIBL. 29 REF.Article

MOLECULAR DIPOLE MOMENTS FROM SCF CALCULATIONS IN A GAUSSIAN BASIS: COMPARISON WITH EXPERIMENT.SNYDER LC.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 2; PP. 747-748; BIBL. 7 REF.Article

MULTICONFIGURATION SELF-CONSISTENT FIELD THEORY OF LOCALIZED ORBITALS: THE SECULAR PROBLEM.SCHLOSSER H.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 35; NO 2; PP. 239-242; BIBL. 4 REF.Article

Electronic structures of poly(vinylene sulphide) and its fluorinated and methylated derivativesTANAKA, K; KOIKE, T; YAMABE, T et al.Synthetic metals. 1985, Vol 11, Num 4-5, pp 221-229, issn 0379-6779Article

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

SOME APPROXIMATE ENERGY RELATIONSHIPS FOR MOLECULES.POLITZER P.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 10; PP. 4239-4240; BIBL. 7 REF.Article

CUSPED-GAUSSIAN MOLECULAR WAVEFUNCTIONS. II. THE MOLECULAR INTEGRALS.STEINER E; WALSH BC.1975; J. CHEM. SOC., FARADAY TRANS., 2; G.B.; DA. 1975; VOL. 71; NO 4; PP. 926-936; BIBL. 6 REF.Article

KEKULE STRUCTURES AND RESONANCE ENERGIES BENZENOID HYDROCARBONS.SWINBORNE SHELDRAKE R; HERNDON WC; GUTMAN I et al.1975; TETRAHEDRON LETTERS; G.B.; DA. 1975; NO 10; PP. 755-758; BIBL. 10 REF.Article

THE COMPTON PROFILE OF WATER: COMPUTED FROM AN SCF-MO WAVEFUNCTION IN A DOUBLE-ZETA GAUSSIAN BASIS SET.SNYDER LC; WEBER TA.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 63; NO 1; PP. 113-114; BIBL. 12 REF.Article

THEORETICAL ANALYSIS OF THE AUGER SPECTRA OF CH₄.ORTENBURGER IB; BAGUS PS.1975; PHYS. REV., A; U.S.A.; DA. 1975; VOL. 11; NO 5; PP. 1501-1503; BIBL. 11 REF.Article

DEPLACEMENTS DES NIVEAUX DE DEUX MOLECULES IDENTIQUES DANS LE CAS OU LEURS ORBITALES MOLECULAIRES SE RECOUVRENTKONSTANTINAVICHYUS KV; TAMULIS AV.1975; LITOV. FIZ. SBOR.; S.S.S.R.; DA. 1975; VOL. 15; NO 5; PP. 755-761; ABS. LITU. ANGL.; BIBL. 7 REF.Article

ACCELERATING THE CONVERGENCE OF THE QUADRATICALLY CONVERGENT SCF METHOD.CHANG IC.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 36; NO 5; PP. 611-613; BIBL. 11 REF.Article

ESTIMATION OF CORE ELECTRON BINDING ENERGIES FOR FREE ATOMS USING THE EQUIVALENT CORE APPROXIMATION: DOUBLE ZETA CALCULATIONS.ADAMS DB.1974; J. ELECTRON SPECTROSC. RELAT. PHENOMENA; NETHERL.; DA. 1974; VOL. 4; NO 1; PP. 72-76; BIBL. 17 REF.Article

REDUCED FERMION DENSITY MATRICES. II. ELECTRON DENSITY OF KR.YUAN JM; LEE SY; LIGHT JC et al.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 8; PP. 3394-3400; BIBL. 15 REF.Article

PARAMETRES DES SPECTRES RPE ET DE LA STRUCTURE DES RADICAUX O₃^-MIKHEJKIN ID; ZHIDOMIROV GM; CHUVYLKIN ND et al.1974; ZH. STRUKT. KHIM.; S.S.S.R.; DA. 1974; VOL. 15; NO 5; PP. 769-773; BIBL. 25 REF.Article

ZUR KONJUGATION IN MAKROCYCLISCHEN BINDUNGSSYSTEMEN (1). IV. BERECHNUNG DES NICHTLOKALEN ANTEILS DER MAGNETISCHEN SUSZEPTIBILITAET UND DER CHEMISCHEN VERSCHIEBUNG BEI ENTARTETEN EIGENWERTEN. CHEMISCHE VERSCHIEBUNG BEI CIRCUMPOLYACENEN. = LA CONJUGAISON DANS LES SYSTEMES DE LIAISONS MACROCYCLIQUES. IV. CALCUL DE LA PARTIE NON LOCALE DE LA SUSCEPTIBILITE MAGNETIQUE ET DU DEPLACEMENT CHIMIQUE POUR LES VALEURS PROPRES DEGENEREES. DEPLACEMENT CHIMIQUE DES CIRCUMPOLYACENESEGE G; VOGLER H.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 35; NO 3; PP. 189-202; ABS. ANGL.; BIBL. 29 REF.Article

A FINITE DIFFERENCE NEWTON-RAPHSON SOLUTION OF THE ATOMIC HARTREE-FOCK PROBLEM.CAYFORD JK; FIMPLE WR; UNGER DG et al.1974; J. COMPUT. PHYS.; U.S.A.; DA. 1974; VOL. 15; NO 1; PP. 81-97; BIBL. 12 REF.Article

ACCURATE ANALYTICAL SELF-CONSISTENT FIELD WAVE FUNCTIONS FOR TM²⁺ AND TM³⁺.DAMOMMIO A; SYNEK M.1974; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1974; VOL. 8; NO 1; PP. 73-78; BIBL. 17 REF.Article

LOCALIZED ORBITAL SCF AND CI STUDIES OF GROUND ELECTRONIC STATESWILHITE DL; WHITTEN JL.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 3; PP. 948-955; BIBL. 24 REF.Serial Issue