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THEORETICAL INVESTIGATION OF THE ELECTRON AFFINITY OF CO2YOSHIOKA Y; SCHAEFER HF III; JORDAN KD et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 75; NO 2; PP. 1040-1041; BIBL. 10 REF.Article

CUSPED-GAUSSIAN MOLECULAR WAVE FUNCTIONS. III: BASIS SETS FOR THE FIRST-ROW ATOMSSTEINER E.1980; FARADAY TRANS. 2; ISSN 0300-9238; GBR; DA. 1980; VOL. 76; NO 4; PP. 391-404; BIBL. 22 REF.Article

ON THE STRUCTURE OF THE TESTIARY BUTYL RADICAL: AN AB INITIO INVESTIGATIONOVERILL RE; GUEST MF.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 1; PP. 119-126; BIBL. 39 REF.Article

THE CYCLIC ISOMER OF CO2FELLER D; KATRIEL J; DAVIDSON ER et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 9; PP. 4517-4520; BIBL. 20 REF.Article

THEORETICAL ELECTRONIC PLUS VIBRATIONAL INVESTIGATION OF SOME HYDROGENBONDED COMPLEXES. I: STRETCHING CUBIC AND QUARTIC FORCE CONSTANTS OF FH...OH2BOUTEILLER Y; ALLAVENA M; LECLERCQ JM et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 6; PP. 2851-2857; BIBL. 52 REF.Article

AB INITIO CALCULATIONS OF THE A3PI -B3SIGMA - TRANSITION OF CH+KUSUNOKI I; SAKAI S; KATO S et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 12; PP. 6813-6815; BIBL. 9 REF.Article

INTERNAL ROTATION BARRIER AND TRANSITION STATE FOR GLYOXALOSAMURA Y; SCHAEFER HF III.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 8; PP. 4576-4580; BIBL. 26 REF.Article

NITROSOMETHANE AND ITS NITRONE AND OXIME ISOMERS. A THEORETICAL STUDY OF 1,2- AND 1,3-INTRAMOLECULAR HYDROGEN SHIFTSADENEY PD; BOUMA WJ; RADOM L et al.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 12; PP. 4069-4074; BIBL. 48 REF.Article

POTENTIAL ENERGY SURFACE FOR THE LI+HF->LIF+H REACTIONCHEN MML; SCHAEFER HF III.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 8; PP. 4376-4393; BIBL. 61 REF.Article

STRUCTURES AND THERMODYNAMIC STABILITIES OF THE C2H4O ISOMERS: ACETALDEHYDE, VINYL ALCOHOL AND ETHYLENE OXIDEBOUMA WJ; RADOM C; RODWELL WR et al.1980; THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 56; NO 2; PP. 149-155; BIBL. 32 REF.Article

THE EFFECTS OF BASIS SET QUALITY AND CONFIGURATION MIXING IN AB INITIO CALCULATIONS OF IONIZATION POTENTIALS OF THE NITROGEN MOLECULEERMLER WC; MCLEAN AD.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 5; PP. 2297-2303; BIBL. 15 REF.Article

THE ELECTRONIC STRUCTURE OF HGCL2 AND HGBR2 AND ITS RELATIONSHIP TO PHOTODISSOCIATIONWADT WR.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 4; PP. 2469-2478; BIBL. 40 REF.Article

THEORETICAL MOLECULAR STRUCTURES AND ELECTRIC DIPOLE MOMENTS OF CCCNH, HCCNC, HCCCNH+, NCNC, AND NCCNH+HAESE NN; WOODS RC.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 9; PP. 4521-4527; BIBL. 45 REF.Article

ELECTRONIC STRUCTURE OF THE N4+ MOLECULAR IONDE CASTRO SC; SCHAEFER HF III; PITZER RM et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 1; PP. 550-558; BIBL. 28 REF.Article

THE AB INITIO CHARGE DEFORMATION DENSITY OF BICYCLOBUTANE FROM AN EXTENDED GAUSSIAN BASISEISENSTEIN M; HIRSHFELD FL.1981; CHEM. PHYS.; ISSN 0301-0104; NLD; DA. 1981; VOL. 54; NO 2; PP. 159-172; BIBL. 17 REF.Article

ANALYTIC CONFIGURATION INTERACTION GRADIENT STUDIES OF SH4, SULFURANEYOSHIOKA Y; GODDARD JD; SCHAEFER HF III et al.1981; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1981; VOL. 74; NO 3; PP. 1855-1863; BIBL. 30 REF.Article

SCF AB INITIO STUDY OF LITHIUM-BONDED COMPLEXESSZCZESNIAK MM; RATAJCZAK H.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 74; NO 2; PP. 243-247; BIBL. 37 REF.Article

SUBSTITUTION EFFECT ON FORMALDEHYDE PHOTOCHEMISTRY. POTENTIAL SURFACE CHARACTERISTICS OF HFCOMOROKUMA K; KATO S; HIRAO K et al.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 12; PP. 6800-6802; BIBL. 17 REF.Article

THE HELLMANN-FEYNMAN THEOREM FOR APPROXIMATE WAVE FUNCTIONS AND ITS APPLICATION TO NONADIABATIC COUPLING MATRIX ELEMENTS WITH THE AID OF A COUPLED HARTREE-FOCK METHODHABITZ P; VOTAVA C.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 10; PP. 5532-5539; BIBL. 18 REF.Article

THE INFLUENCE OF METAL IONS ON NEIGHBOURING HYDROGEN BONDSRODE BM.1980; THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 56; NO 3; PP. 245-251; BIBL. 17 REF.Article

BOND FUNCTIONS AND 3D POLARIZATION FUNCTIONS FOR FLUORINE BONDED MOLECULESLAWLOR L; VASUDEVAN K; GREIN F et al.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 1; PP. 79-84; BIBL. 29 REF.Article

THE STABILIZING EFFECT OF D ORBITALS ON THE CENTRAL NITROGEN ATOM IN NITROGEN-OXYGEN MOLECULES AND IONSBAIRD NC; TAYLOR KF.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 80; NO 1; PP. 83-86; BIBL. 13 REF.Article

PSEUDOPOTENTIAL SCF STUDY OF THE PALLADIUM ATOM-ETHYLENE SYSTEMGARCIA PRIETO J; NOVARO O.1980; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1980; VOL. 41; NO 1; PP. 205-217; BIBL. 26 REF.Article

SCATTERING OF LOW-ENERGY POSITRONS BY MERCURY ATOMSSIN FAI LAM LT.1980; J. PHYS. B; ISSN 0022-3700; GBR; DA. 1980; VOL. 13; NO 13; PP. L427-L429; BIBL. 6 REF.Article

STUDY OF LOCALIZABILITY FOR SOME SMALL MOLECULESKAPUY E; KOZMUTZA C; DAUDEL R et al.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 72; NO 2; PP. 275-277; BIBL. 10 REF.Article

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