EFFECTIVE CONVERGENCE TO COMPLETE ORBITAL BASES AND TO THE ATOMIC HARTREE-FOCK LIMIT THROUGH SYSTEMATIC SEQUENCES OF GAUSSIAN PRIMITIVESSCHMIDT MW; RUEDENBERG K.1979; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1979; VOL. 71; NO 10; PP. 3951-3962; BIBL. 21 REF.Article

MULTIPOLE MOMENTS AND POLARIZABILITIES OF CYCLOPROPANEAMOS RD; WILLIAMS JH.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 84; NO 1; PP. 104-106; BIBL. 16 REF.Article

ON THE STRUCTURE AND STABILITY OF BIPYRAMIDAL B₂O₃SNYDER LC; WASSERMAN Z.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 2; PP. 998-999; BIBL. 21 REF.Article

CALCULATIONS ON THE GROUND STATES OF HCN⁺ AND HNC⁺MURRELL JN; DERZI AA.1980; FARADAY TRANS. 2; ISSN 0300-9238; GBR; DA. 1980; VOL. 76; NO 4; PP. 319-323; BIBL. 18 REF.Article

TRANS-N₂F₂ AND CIS-N₂F₂: A GREEN'S FONCTION CALCULATION ON THEIR PHOTOELECTRON SPECTRA.VON NIESSEN W; KRAEMER WP; CEDERBAUM LS et al.1977; CHEM. PHYS.; NETHERL.; DA. 1977; VOL. 24; NO 2; PP. 245-250; BIBL. 17 REF.Article

ETUDE THEORIQUE DU COMPLEXE DU CATION LITHIUM AVEC LA MOLECULE D'ETHYLENEBESPALOV V YA.1977; ZH. ORG. KHIM.; S.S.S.R.; DA. 1977; VOL. 13; NO 11; PP. 2255-2257; BIBL. 12 REF.Article

CONFORMATION ANALYSIS OF DIPHOSPHINE.AHLRICHS R; HEINZMANN R; ZIRZ C et al.1976; THEOR. CHIM. ACTA; ALLEM.; DA. 1976; VOL. 43; NO 1; PP. 29-35; BIBL. 19 REF.Article

DETERMINATION OF CONTRACTION COEFFICIENTS FOR REPLICATED GAUSSIAN PRIMITIVESGRAF P; MEHLER EL; MCLEAN AD et al.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 3; PP. 1593-1594; BIBL. 5 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

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

ON THE USE OF PSEUDOPOTENTIALS IN MOLECULAR CALCULATIONSGRESH N; PULLMAN A.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 49; NO 4; PP. 283-294; BIBL. 29 REF.Article

CORRELATION EFFECTS IN THE NITROGEN 1S PHOTOELECTRON SPECTRUM OF NITRIC OXIDE.DARKO T; HILLIER IH; KENDRICK J et al.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 45; NO 1; PP. 188-190; BIBL. 11 REF.Article

EXTENSION OF A HE-H₂ POTENTIAL ENERGY SURFACE.RACZKOWSKI AW; LESTER WA JR.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 47; NO 1; PP. 45-49; BIBL. 20 REF.Article

A THEORETICAL STUDY OF THE 1S PHOTOELECTRON SPECTRUM OF O₂.DARKO T; HILLIER IH; KENDRICK J et al.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 67; NO 4; PP. 1792-1793; BIBL. 9 REF.Article

AB INITIO MOLECULAR ORBITAL CALCULATIONS ON THE CONFORMATIONS OF SOME UNSATURATED FRAGMENTS OF LIPID MOLECULES: 1-BUTENE, CIS-2-PENTENE AND 1,4-PENTADIENE.SCHURINK WTM; DE JONG S.1977; CHEM. PHYS. LIPIDS; NETHERL.; DA. 1977; VOL. 19; NO 4; PP. 313-322; BIBL. 29 REF.Article

THE SIMPLEST METALLOCENE: CYCLOPENTADIENYLLITHIUM.ALEXANDRATOS S; STEITWIESER A JR; SCHAEFER HF III et al.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 25; PP. 7959-7962; BIBL. 33 REF.Article

A MOLECULAR ORBITAL STUDY OF THE BARRIER TO INTERNAL ROTATION IN FORMALDAZINE.SKANCKE A.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 34; NO 2; PP. 291-297; BIBL. 12 REF.Article

THE NATURE OF BONDING IN PDCSHIM I; GINGERICH KA.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 7; PP. 3833-3834; BIBL. 10 REF.Article

A THEORETICAL DETERMINATION OF THE ELECTRON AFFINITY OF METHYLENEFELLER D; MCMURCHIE LE; THATCHER BORDEN W et al.1982; JOURNAL OF CHEMICAL PHYSICS; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 12; PP. 6134-6143; BIBL. 37 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

COMPUTATION OF ELECTRON REPULSION INTEGRALS INVOLVING CONTRACTED GAUSSIAN BASIS FUNCTIONS.POPLE JA; HEHRE WJ.1978; J. COMPUT. PHYS.; USA; DA. 1978; VOL. 27; NO 2; PP. 161-168; BIBL. 6 REF.Article

GAUSSIAN BASIS SETS FOR MOLECULAR CALCULATIONS. THE REPRESENTATION OF 3D ORBITALS IN TRANSITION-METAL ATOMS.HAY PJ.1977; J. CHEM. PHYS.; U.S.A.; DA. 1977; VOL. 66; NO 10; PP. 4377-4384; BIBL. 18 REF.Article

MOLECULAR ELECTRIC POLARIZABILITIES. III. NEAR HARTREE-FOCK POLARIZABILITIES OF SMALL MOLECULES USING EFV GTO'S.SADLE AJ.1977; MOLEC. PHYS.; G.B.; DA. 1977; VOL. 34; NO 3; PP. 731-743; BIBL. 41 REF.Article

THE EFFECT OF CHOICE OF BASIS SET IN MOLECULAR PSEUDOPOTENTIAL CALCULATIONS.HARKER AH.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 32; NO 2; PP. 583-586; BIBL. 6 REF.Article

AB INITIO CALCULATIONS ON BORANE AND DIBORANE MOLECULES. THE LOCALIZED MOLECULAR ORBITALS OF DIBORANE.LARGO CABRERIZO J.1976; AN. QUIM.; ESP.; DA. 1976; VOL. 72; NO 4; PP. 315-321; ABS. ESP.; BIBL. 33 REF.Article