CLASSICAL AND NONCLASSICAL STRUCTURES OF THE VINYL CATION. AN ACCURATE COMPUTATIONAL DETERMINATION OF THEIR RELATIVE STABILITIES AND OPTIMUM REARRANGEMENT PATH.WEBER J; MCLEAN AD.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 3; PP. 875-876; BIBL. 9 REF.Article

THE ELECTRONIC STRUCTURE OF AMINODIBORANE.ARMSTRONG DR.1976; INORG. CHIM. ACTA; ITAL.; DA. 1976; VOL. 18; NO 2; PP. 145-146; BIBL. 3 REF.Article

THE ELECTRONIC STRUCTURE OF METHYL LITHIUM.HINCHLIFFE A; SAUNDERS E.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 31; NO 2; PP. 283-289; BIBL. 13 REF.Article

A QUANTUM-MECHANICAL STUDY OF THE LONE-PAIRS IN H₂O AND H₂S.HINCHLIFFE A; HUGHES PR.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 32; NO 1; PP. 79-84; BIBL. 12 REF.Article

THE EFFECT OF HYDROGEN BONDING ON STRUCTURAL PARAMETERS. IV. AN AB INITIO STUDY OF FORMAMIDE-AMMONIA COMPLEXES.OTTERSEN T; JENSEN HH; JOHANSEN R et al.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 30; NO 2; PP. 379-387; BIBL. 8 REF.Article

AB-INITIO SCF CALCULATIONS BY A GENERALIZED COUPLING OPERATOR METHOD.ISHIKAWA Y.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 37; NO 3; PP. 597-601; BIBL. 22 REF.Article

GEOMETRY OPTIMIZATIONS WITH A SMALL CONTRACTED GAUSSIAN BASIS SET.POPPINGER D.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 12; NO 1; PP. 131-137; BIBL. 17 REF.Article

THE ZERO-FIELD SPLITTING IN THE B³SIGMA _G^- STATE OF C₂.LANGHOFF SR.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 64; NO 3; PP. 1245-1246; BIBL. 15 REF.Article

BARRIER TO INTERNAL ROTATION AND PI -BONDING IN DIBORANE PEROXIDE, BH₂O₂BH₂; STUDIED BY AB INITIO CALCULATIONS.GROPEN O; JENSEN HH.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 32; NO 1; PP. 85-91; BIBL. 15 REF.Article

VALENCE BOND COMPUTATIONS USING AN ORBITAL BASIS DERIVED FROM SCF-MO'S. ONE ELECTRON PROPERTIES FOR AMMONIA.LUIGI BENDAZZOLI G; PALMIERI P.1975; GAZZ. CHIM. ITAL.; ITAL.; DA. 1975; VOL. 105; NO 5-6; PP. 485-493; ABS. ITAL.; BIBL. 11 REF.Article

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

VARIATION PERTURBATION TREATMENT OF THE HYDROGEN BOND BETWEEN WATER MOLECULES.JEZIORSKI B; VAN HEMERT M.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 31; NO 3; PP. 713-729; BIBL. 42 REF.Article

CALCULATION OF THE ¹J(PP) ANGULAR DEPENDENCE IN P₂H₄.ALBRAND JP; FAUCHER H; GAGNAIRE D et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 38; NO 3; PP. 521-523; BIBL. 20 REF.Article

6-311G is not of valence triple-zeta qualityGREV, R. S; SCHAEFER, H. F. III.The Journal of chemical physics. 1989, Vol 91, Num 11, pp 7305-7306, issn 0021-9606Article

The metal-carbonyl bond in Ni(CO)₄ and Fe(CO)₅: a clear-cut analysisBAUSCHLICHER, C. W. JR; BAGUS, P. S.The Journal of chemical physics. 1984, Vol 81, Num 12, pp 5889-5898, issn 0021-9606, 2Article

An efficient algorithm for electron repulsion integrals over contracted Gaussian-type functionsTEN-NO, S.Chemical physics letters. 1993, Vol 211, Num 2-3, pp 259-264, issn 0009-2614Article

The simulated ab initio molecular orbital (SAMO) method. VII: Extended basis sets for molecules and polymersDUKE, B. J; ÓLEARY, B.The Journal of chemical physics. 1983, Vol 79, Num 7, pp 3424-3433, issn 0021-9606Article

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