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GEOMETRY OF DENSITY MATRICES. IV: THE RELATIONSHIP BETWEEN DENSITY MATRICES AND DENSITIESHARRIMAN JE.1983; PHYSICAL REVIEW. A. GENERAL PHYSICS; ISSN 0556-2791; USA; DA. 1983; VOL. 27; NO 2; PP. 632-645; BIBL. 15 REF.Article

FLEXIBLE D BASIS SETS FOR SC THROUGH CURAPPE AK; SMEDLEY TA; GODDARD WA III et al.1981; J. PHYS. CHEM.; ISSN 0022-3654; USA; DA. 1981; VOL. 85; NO 18; PP. 2607-2611; BIBL. 6 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

AB INITIO CALCULATIONS ON LARGE MOLECULES USING MOLECULAR FRAGMENTS. GENERALIZATION AND CHARACTERISTICS OF FLOATING SPHERICAL GAUSSIAN BASIS SETS.MAGGIORA GM; CHRISTOFFERSEN RE.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 26; PP. 8325-8332; BIBL. 78 REF.Article

A STUDY OF LOEWDIN'S CRITERION FOR COMPLETENESS OF BASIS SETS.LEOPOLD JG; COHEN M; KATRIEL J et al.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 6; PP. 1049-1056; ABS. FR. ALLEM.; BIBL. 6 REF.Article

PREPARATION OF SMALL ATOMIC GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONSANDZELM J; RADZIO ANDZELM E; KLOBUKOWSKI M et al.1983; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1983; VOL. 94; NO 1-2; PP. 197-199; BIBL. 5 REF.Article

CONSTRUCTION OF OPTIMAL BASIS SETS IN APPROXIMATE THEORIES OF THE ELECTRONIC STRUCTURE OF MOLECULES: WEIGHTED LOEWDIN ORTHOGONALIZATIONMAKSIC ZB.1981; Z. NATURFORSCH., A; ISSN 0340-4811; DEU; DA. 1981; VOL. 36; NO 4; PP. 373-377; BIBL. 23 REF.Article

CHOIX D'UNE BASE TRONQUEE OPTIMALE DANS LE CADRE DE LA METHODE DE MESOMERIEHO NAM TRAN; DE REYFF C.1980; J. CHIM. PHYS. PHYSICOCHIM. BIOL.; ISSN 0021-7689; FRA; DA. 1980; VOL. 77; NO 11-12; PP. 979-985; ABS. ENG; BIBL. 10 REF.Article

DIFFERENTIAL EQUATION FORMULATION OF CORRECTIONS TO AN INCOMPLETE BASIS SETMCDOWELL K.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 6; PP. 3148-3149; BIBL. 3 REF.Article

COMPARISON OF RHF, NDDO, AND MOM MOLECULAR ONE-ELECTRON EXPECTATION VALUES CALCULATED USING WEIGHTED AND UNWEIGHTED STO-NG(W) BASIS FUNCTIONSZEISS GD; WHITEHEAD MA.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 48-52; BIBL. 41 REF.Article

CYCLIC D6H HEXAAZABENZENE - A RELATIVE MINIMUM ON THE N6 POTENTIAL ENERGY HYPERSURFACE.SAXE P; SCHAEFER HF III.1983; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1983; VOL. 105; NO 7; PP. 1760-1764; BIBL. 31 REF.Article

MOLECULAR ORBITAL STUDY OF THE PROTONATION OF DNA BASESDEL BENE JE.1983; JOURNAL OF PHYSICAL CHEMISTRY; ISSN 0022-3654; USA; DA. 1983; VOL. 87; NO 2; PP. 367-371; BIBL. 26 REF.Article

AB INITIO STUDIES ON CALICENEHESS BA JR; SCHAAD LJ; EWIG CS et al.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 53-57; BIBL. 50 REF.Article

DIAGRAMMATIC PERTURBATION THEORY: THE IMPORTANCE OF F BASIS FUNCTIONS IN MOLECULAR ELECTRON CORRELATION ENERGY CALCULATIONSWILSON S.1982; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1982; VOL. 15; NO 6; PP. L191-L194; BIBL. 20 REF.Article

STANDARD BASIS SETS WITH POLARIZATION FUNCTIONSZHU ZH; MURRELL JN.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 88; NO 3; PP. 262-265; BIBL. 15 REF.Article

CHARACTERISTICS OF THE GAUSSIAN-TYPE ORBITALSTATEWAKI H.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 7; PP. 4207-4208; BIBL. 21 REF.Article

THE CHOICE OF GAUSSIAN BASIS SETS FOR MOLECULAR ELECTRONIC STRUCTURE CALCULATIONSAHLRICHS R; TAYLOR PR.1981; J. CHIM. PHYS. PHYSICOCHIM. BIOL.; ISSN 0021-7689; FRA; DA. 1981; VOL. 78; NO 4; PP. 315-324; ABS. FRE; BIBL. 80 REF.Article

3,3'-BICYCLOPROPENYL: EVIDENCE FOR NOVEL LONG-RANGE CONJUGATION OF PI ORBITALSGREENBERG A; LIEBMAN JF.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 1; PP. 44-48; BIBL. 37 REF.Article

AB INITIO CI CALCULATION OF THE MOLECULAR QUADRUPOLE MOMENT OF BENZENETAE KYU HA.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 79; NO 2; PP. 313-316; BIBL. 13 REF.Article

DIMOLYBDENUM: NATURE OF THE SEXTUPLE BONDBURSTEN BE; COTTON FA; HALL MB et al.1980; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1980; VOL. 102; NO 20; PP. 6348-6349; BIBL. 15 REF.Article

THE ELECTRONIC STRUCTURE OF THE BRF3 AND BRF5 MOLECULESGUTZEV GL; SMOLYAR AE.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 71; NO 2; PP. 296-299; BIBL. 20 REF.Article

THE MOLECULAR STRUCTURE OF FNNF. A STUDY OF THE CIS EFFECTSTRAUME K; SKANCKE A.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 73; NO 2; PP. 378-380; BIBL. 17 REF.Article

CALCUL DE LA STRUCTURE ET DE LA STABILITE DE LA MOLECULE LIBF4 NON RIGIDE PAR UNE METHODE AB INITIOZAKZHEVSKIJ VG; BOLDYREV AI; CHARKIN OP et al.1980; Z. NEORG. HIM.; SUN; DA. 1980; VOL. 25; NO 5; PP. 1171-1175; BIBL. 12 REF.Article

CALCULS AB INITIO DE LA STABILITE ET DE LA STRUCTURE DES BOROHYDRURES COMPLEXES DE BERYLLIUM ET DE MAGNESIUMKIRILLOV YU B; BOLDYREV AI; KLIMENKO NM et al.1980; KOORDIN. KHIM.; SUN; DA. 1980; VOL. 6; NO 10; PP. 1503-1509; BIBL. 16 REF.Article

A THEORETICAL STUDY OF PATHS FOR DECOMPOSITION AND REARRANGEMENT OF DIHYDROXYCARBENEFELLER D; BORDEN WT; DAVIDSON ER et al.1980; J. COMPUT. CHEM.; ISSN 0192-8651; USA; DA. 1980; VOL. 1; NO 2; PP. 158-166; BIBL. 18 REF.Article

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