kw.\*:("METHODE AB INITIO")
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THE MOLECULAR ORBITAL DESCRIPTION OF SN2 REACTIONS AT SILICON CENTRESBAYBUTT P.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 29; NO 2; PP. 389-403; BIBL. 1 P. 1/2Article
THE IMPORTANCE OF NONBONDED ATTRACTION IN THE STEREOCHEMISTRY OF THE SN2' REACTIONYATES RL; EPIOTIS ND; BERNARDI F et al.1975; J. AMER. CHEM. SOC.; U.S.A.; DA. 1975; VOL. 97; NO 23; PP. 6615-6621; BIBL. 20 REF.Article
THE STRUCTURE OF METHYLENE.HARRISON JF.1974; ACCOUNTS CHEM. RES.; U.S.A.; DA. 1974; VOL. 7; NO 11; PP. 378-384; BIBL. 46 REF.Article
AB INITIO REFINEMENT OF AN ORBITAL-CENTRED FORCE FIELD FOR BIOMOLECULES: ORBITAL LOCALISATION AND PARAMETERISATION OF THE C-O-P(O2)-O-C FRAGMENT OF NUCLEOTIDESPLATT E; ROBSON B; HILLIER IH et al.1981; J. THEOR. BIOL.; ISSN 0022-5193; GBR; DA. 1981; VOL. 88; NO 2; PP. 333-353; BIBL. 22 REF.Article
ON THE CALCULATION OF TRANSITION STATESPOPPINGER D.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 35; NO 4; PP. 550-554; BIBL. 17 REF.Article
TWIST-BOUNDARY ENERGY IN ALUMINIUM. AN AB INITIO CALCULATION.LODGE KW; FLETCHER NH.1975; PHILOS. MAG.; G.B.; DA. 1975; VOL. 31; NO 3; PP. 529-535; BIBL. 11 REF.Article
THEORETICAL FOUNDATIONS OF PURELY SEMIEMPIRICAL QUANTUM CHEMISTRY.FREED KF.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 5; PP. 1765-1788; BIBL. 1 P. 1/2Article
CALCUL AB INITIO DE LA SURFACE DE POTENTIEL APPROCHEE DU CHEMIN REACTIONNEL LE PLUS COURT POUR BH+H2->BH3BOZHENKO KV; BOLDYREV AI; CHARKIN OP et al.1978; ZH. NEORG. KHIM.; SUN; DA. 1978; VOL. 23; NO 11; PP. 2883-2889; BIBL. 16 REF.Article
CONFIRMATION OF THE DISCREPANCY BETWEEN THEORY AND EXPERIMENT FOR THE B1A'' STATE OF HCN.SCHWENZER GM; BENDER CF; SCHAEFER HF III et al.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 36; NO 2; PP. 179-182; BIBL. 10 REF.Article
UTILIZATION OF TRANSFERABILITY IN MOLECULAR ORBITAL THEORY.O'LEARY B; DUKE BJ; EILERS JE et al.1975; ADV. QUANTUM CHEM.; U.S.A.; DA. 1975; VOL. 9; PP. 1-67; BIBL. 4 P. 1/2Article
FSGO CALCULATIONS OF OCTAHYDROTRIBORATE ANION AND TETRABORANE.BICERANO J; FROST AA.1974; THEOR. CHIM. ACTA; ALLEM.; DA. 1974; VOL. 35; NO 1; PP. 81-87; BIBL. 19 REF.Article
MOLECULAR ORBITAL STUDIES OF CONFORMATION.POPLE JA.1974; TETRAHEDRON; G.B.; DA. 1974; VOL. 30; NO 12; PP. 1605-1615; BIBL. 63 REF.Article
ON THE VIBRATIONAL STRUCTURE IN PHOTOELECTRON SPECTRA BY THE METHOD OF GREEN'S FUNCTIONS.CEDERBAUM LS; DOMCKE W.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 7; PP. 2878-2889; BIBL. 36 REF.Article
STRUCTURE AND PROPERTIES OF HYDROGEN BONDS BETWEEN THE ELECTRONEGATIVE ATOMS OF THE SECOND AND THIRD ROWS.TOPP WC; ALLEN LC.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 16; PP. 5291-5293; BIBL. 7 REF.Article
VALENCE-BOND CALCULATION OF THE ELECTRONIC STRUCTURE OF BENZENE.NORBECK JM; GALLUP GA.1974; J. AMER. CHEM. SOC.; U.S.A.; DA. 1974; VOL. 96; NO 11; PP. 3386-3393; BIBL. 22 REF.Article
APPROXIMATION QUASI RELATIVISTE DANS LES METHODES LCAO-MO EN TENANT COMPTE DES TERMES DE BREITBERSUKER IB; BUDNIKOV SS; LEJZEROV BA et al.1974; TEOR. EKSPER. KHIM., U.S.S.R.; S.S.S.R.; DA. 1974; VOL. 10; NO 5; PP. 586-589; BIBL. 3 REF.Article
CALCULS NON EMPIRIQUES DE LA GEOMETRIE ET DE LA CONFORMATION DES MOLECULES POLYATOMIQUESDASHEVSKIJ VG.1974; USP. KHIM.; S.S.S.R.; DA. 1974; VOL. 43; NO 3; PP. 491-518; BIBL. 3 P. 1/2Article
AB INITIO CALCULATIONS FOR REACTION SURFACES INVOLVING FREE RADICALS.PEYERIMHOFF SD; BUENKER RJ.1974; BER. BUNSENGESELLSCH. PHYS. CHEM.; DTSCH.; DA. 1974; VOL. 78; NO 2; PP. 119-127; ABS. ALLEM.; BIBL. 14 REF.; (BERICHTSH. XI. INT. SYMP. FREIE RADIKALE; BERCHTESGADEN-KOENIGSSEE; 1973)Conference Paper
AB INITIO MOLECULAR ORBITAL CALCULATIONS ON AMINOPHOSPHINE, H2NPH2. THE STEREOCHEMISTRY AT PHOSPHORUS.CSIZMADIA IG; COWLEY AH; TAYLOR MW et al.1974; J. CHEM. SOC., CHEM. COMMUNIC.; G.B.; DA. 1974; NO 11; PP. 432-433; BIBL. 7 REF.Article
AB-INITIO CALCULATION ON METHYLNITRENIUM ION (CH3NH)+.GUNDE R; AZMAN A.1974; Z. NATURFORSCH., A; DTSCH.; DA. 1974; VOL. 29; NO 5; PP. 832; BIBL. 4 REF.Article
AN AB INITIO CALCULATION OF ENERGY LEVELS AND TRANSITION PROBABILITIES IN THE SPECTRUM OF ARI.WOODYARD JR SR; ALTICK PL.1974; J. PHYS. B; G.B.; DA. 1974; VOL. 7; NO 17; PP. 2298-2307; BIBL. 16 REF.Article
POTENTIAL ENERGY CURVE OF THE B1SIGMA U+ STATE OF H2STWALLEY WC.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 2; PP. 536-540; BIBL. 41 REF.Serial Issue
STRUCTURE OF BERYLLIUM BORON HYDRIDES BEBH5 AND BEB2H8AHLRICHS R.1973; CHEM. PHYS. LETTERS; NETHERL.; DA. 1973; VOL. 19; NO 2; PP. 174-178; BIBL. 18 REF.Serial Issue
ACCURATE AB INITIO CALCULATION OF THE BEH MOLECULE. I. THE X2SIGMA + AND A2PI STATESBAGUS PS; MOSER CM; GOETHALS P et al.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 5; PP. 1886-1897; BIBL. 21 REF.Serial Issue
AN AB INITIO LCAO-MO-SCF STUDY OF THE ELECTRONIC STRUCTURE OF PHOSPHIRANE AND THIIRANEABSAR I; SCHAAD LJ; VAN WAZER JR et al.1973; THEOR. CHIM. ACTA; ALLEM.; DA. 1973; VOL. 29; NO 2; PP. 173-181; ABS. ALLEM.; BIBL. 28 REF.Serial Issue