MODIFICATIONS DU PROGRAMME "GAUSSIAN-70"VITKOVSKAYA NM; LUR'E FS; NIKITINA NV et al.1982; Z. STRUKT. HIM.; ISSN 0136-7463; SUN; DA. 1982; VOL. 23; NO 4; PP. 175-176; BIBL. 2 REF.Article

METHODES SEMI-EMPIRIQUES DE LA THEORIE DES ORBITALES MOLECULAIRES. I. RELATIONS ENTRE LES INTEGRALES BIELECTRONIQUES MONOCENTRIQUES EVALUEES A PARTIR DES ETATS DE VALENCE DES ATOMES ET LEURS VALEURS THEORIQUES.FRANCOIS P; CARLES P; RAJZMANN M et al.1977; J. CHIM. PHYS. PHYS.-CHIM. BIOL.; FR.; DA. 1977; VOL. 74; NO 5; PP. 606-611; ABS. ANGL.; BIBL. 16 REF.Article

CALCUL ASYMPTOTIQUE DES INTEGRALES MOLECULAIRESBLOK VR; LEONIDOV NB.1977; ZH. FIZ. KHIM.; S.S.S.R.; DA. 1977; VOL. 51; NO 6; PP. 1534; BIBL. 1 REF.Article

THE EVALUATION OF OMEGA PARAMETERS IN CONTRACTED DENSITY PRODUCT CALCULATIONSMASCARELLO F; CUONY B; HUG W et al.1982; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 61; NO 4; PP. 325-333; BIBL. 9 REF.Article

PROGRAMME DE TRANSFORMATION A 4 INDICES DES INTEGRALES MOLECULAIRES BIELECTRONIQUES DE LA BASE ATOMIQUE A LA BASE MOLECULAIREZAKZHEVSKIJ VG; CHARKIN OP.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 2; PP. 364-365; BIBL. 6 REF.Article

IMPROVED TRANSFORMATION ALGORITHM OF TWO-ELECTRON INTEGRALS FROM ATOMIC ORBITAL BASIS TO A SYMMETRY ORBITAL BASISTAKADA T; SASAKI F.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 18; NO 5; PP. 1157-1163; ABS. FRE/GER; BIBL. 15 REF.Article

ON THE EVALUATION OF CI MATRIX ELEMENTS FOR A CANONICALLY ORDERED BASISRUTTINK PJA.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 49; NO 3; PP. 223-239; BIBL. 15 REF.Article

CALCUL ANALYTIQUE DES INTEGRALES BIELECTRONIQUES MONOCENTRIQUES A ORBITALES DE TYPE SLATERGUSEJNOV II.1978; ZH. STRUKT. KHIM.; SUN; DA. 1978; VOL. 19; NO 3; PP. 530-532; BIBL. 3 REF.Article

THE CALCULATION OF TWO-ELECTRON PROPERTIES FROM MULTIPLE-SCATTERING XALPHA WAVE FUNCTIONSCOOK M; KARPLUS M.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 84; NO 3; PP. 565-570; BIBL. 24 REF.Article

GAUSSIAN MATRIX ELEMENTS OF THE OPERATOR X^RHO ₁₂: REDUCTION TO CONFLUENT HYPERGEOMETRIC FUNCTIONSNIUKKANEN AW.1980; INT. J. QUANTUM. CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 18; NO 3; PP. 695-708; ABS. FRE/GER; BIBL. 17 REF.Article

A GENERAL ANALYTIC PROCEDURE FOR CALCULATING TWO-CENTRE INTEGRALS INVOLVING THE ONE-ELECTRON DIPOLAR COUPLING OPERATOR AND SLATER ATOMIC ORBITALSEDWARDS SA; GOTTLIEB HPW; DODDRELL DM et al.1979; MOLEC. PHYS.; GBR; DA. 1979; VOL. 38; NO 4; PP. 1147-1164; BIBL. 11 REF.Article

MOLECULAR SYMMETRY. II. GRADIENT OF ELECTRONIC ENERGY WITH RESPECT TO NUCLEAR COORDINATES.DUPUIS M; KING HF.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 9; PP. 3998-4004; BIBL. 25 REF.Article

ONE-CENTER TWO ELECTRON REPULSION PARAMETERS ON THE PI AND ALL-VALENCE SEMI-EMPIRICAL THEORIESIWATA S.1978; CHEM. PHYS. LETTERS; NLD; DA. 1978; VOL. 57; NO 2; PP. 247-252; BIBL. 12 REF.Article

AN EFFICIENT ALGORITHM FOR CALCULATING AB INITIO ENERGY GRADIENTS USING S, P CARTESIAN GAUSSIANSSCHLEGEL HB.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 7; PP. 3676-3681; BIBL. 35 REF.Article

A SIMPLE METHODS TO ELIMINATE LINEARLY DEPENDENT AO INTEGRALS IN AB INITIO LCAO MO CALCULATIONS BY TAKING ADVANTAGE OF SHELL STRUCTURETAKADA T.1981; J. COMPUT. PHYS.; ISSN 0021-9991; USA; DA. 1981; VOL. 42; NO 1; PP. 99-107; BIBL. 15 REF.Article

MULTI-ROOT CONFIGURATION INTERACTION CALCULATIONSHANDY NC.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 74; NO 2; PP. 280-283; BIBL. 9 REF.Article

NEW METHOD FOR APPROXIMATE HARTREE-FOCK CALCULATIONS USING DENSITY APPROXIMATIONS AND COULOMB FIELD CORRECTIONS. INOACK WE.1980; INT. J. QUANTUM CHEM.; ISSN 0020-7608; USA; DA. 1980; VOL. 17; NO 6; PP. 1111-1123; ABS. FRE/GER; BIBL. 9 REF.Article

EVALUATION OF MOLECULAR INTEGRALS INVOLVING CONTINUUM ORBITALS.BOTTCHER C; FORD AL; KIRBY DOCKEN K et al.1977; COMPUTER PHYS. COMMUNIC.; NETHERL.; DA. 1977; VOL. 13; NO 1; PP. 11-15; BIBL. 19 REF.Article

TWO-ELECTRON MANY-CENTER INTEGRALS INVOLVING R₁₂^K TERM OVER GAUSSIAN CARTESIAN FUNCTIONS.PREISKORN A; FIRSZT M; WOZNICKI W et al.1976; BULL. ACAD. POLON. SCI., SCI. MATH. ASTR. PHYS.; POLOGNE; DA. 1976; VOL. 24; NO 5; PP. 359-365; ABS. RUSSE; BIBL. 28 REF.Article

ELEMENTARY UNITARY MO TRANSFORMATIONS AND SCF THEORYCARBO R; DOMINGO L; PERIS JJ et al.1982; ADVANCES IN QUANTUM CHEMISTRY; ISSN 0065-3276; USA; DA. 1982; VOL. 15; PP. 215-265; BIBL. 4 P.Article

EMPIRICAL PENETRATION FUNCTIONS AND TWO-CENTER ELECTRON REPULSION INTEGRALS FOR SEMIEMPIRICAL CALCULATIONS OF ELECTRONIC STRUCTUREPARRY DE; WHITEHEAD MA.1982; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 2; PP. 265-268; BIBL. 13 REF.Article

PRINCIPLES FOR A DIRECT SCF APPROACH TO LCAO-MO AB-INITIO CALCULATIONSALMLOEF J; FAEGRI K JR; KORSELL K et al.1982; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 3; PP. 385-399; BIBL. 36 REF.Article

ON THE POSSIBILITY OF IMPROVING THE INTEGRAL EVALUATION SECTION IN AB INITIO HARTREE-FOCK CALCULATIONS ON LARGE MOLECULESKARLSTROM G.1981; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1981; VOL. 2; NO 1; PP. 83-86; BIBL. 3 REF.Article

THE CONTRACTED DENSITY PRODUCT (CDP) CONCEPT AS A NEW WAY TO SIMPLIFITY MOLECULAR ORBITAL CALCULATIONSHUG W; MASCARELLO F.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 1; PP. 275-287; BIBL. 13 REF.Article

MINIMUM BASIS SETS OF SLATER-TRANSFORM-PREUSS FUNCTIONS FOR THE FIRST ROW ATOMSYURTSEVER E.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 63; NO 2; PP. 318-321; BIBL. 15 REF.Article