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

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

PENTALENEJEAN Y.1980; NOUV. J. CHIM.; FRA; DA. 1980; VOL. 4; NO 1; PP. 11-15; BIBL. 24 REF.Article

REACTION MECHANISM OF HYDROBORATION. AB INITIO MO STUDY ON THE C₂H₄+BH₃ REACTIONNAGASE S; RAY NK; MOROKUMA K et al.1980; J. AMER. CHEM. SOC.; USA; DA. 1980; VOL. 102; NO 13; PP. 4536-4537; BIBL. 16 REF.Article

PREDICTION OF A NEW PHASE IN SOLID N₂ AT HIGH PRESSUREKOBASHI K; HELMY AA; ETTERS RD et al.1982; PHYSICAL REVIEW. B: CONDENSED MATTER; ISSN 0163-1829; USA; DA. 1982; VOL. 26; NO 10; PP. 5996-5999; BIBL. 17 REF.Article

SUBSTITUENT ELECTRONEGATIVITIESREYNOLDS WF; TAFT RW; MARRIOTT S et al.1982; TETRAHEDRON LETT.; ISSN 0040-4039; GBR; DA. 1982; VOL. 23; NO 10; PP. 1055-1058; BIBL. 13 REF.Article

AZOXY COMPOUNDS AND OXADIAZIRIDINES. AN AB INITIO STUDY OF THE RING CLOSURE REACTIONS AND OF THE CIS-TRANS ISOMERIZATIONS.CIMIRAGLIA R; PERSICO M; TOMASI J et al.1977; J. PHYS. CHEM.; U.S.A.; DA. 1977; VOL. 61; NO 19; PP. 1876-1882; BIBL. 37 REF.Article

POLARIZATION MODEL FOR NH₃-H-H₂O PROTON TRANSFER REACTIONDAVID CW.1983; JOURNAL OF CHEMICAL PHYSICS; ISSN 0021-9606; USA; DA. 1983; VOL. 78; NO 8; PP. 5268-5269; BIBL. 5 REF.Article

AB INITIO MO STUDY ON BASE STACKING: ADENINE-ADENINE INTERACTION IN SINGLE-STRANDED POLYADENYLIC ACID (POLY A)AIDA M; NAGATA C.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 86; NO 1; PP. 44-46; BIBL. 23 REF.Article

AB INITIO CALCULATIONS OF THE ELECTRONIC PROPERTIES OF POLYETHYLENEWEIDMAN RS; BEDFORD KL; KUNZ AB et al.1981; SOLID STATE COMMUN.; ISSN 0038-1098; USA; DA. 1981; VOL. 39; NO 8; PP. 917-919; BIBL. 11 REF.Article

ETAT DE TRANSITION ET THEOREME DU VIRIEL: APPLICATION A L'EVALUATION DES LONGUEURS DE LIAISON EN COURS DE FORMATION OU DE RUPTURE DANS LES REACTIONS ELECTROCYCLIQUESBLAISE P; HENRI ROUSSEAU O.1979; NOUV. J. CHIM.; FRA; DA. 1979; VOL. 3; NO 6; PP. 369-377; BIBL. 35 REF.Article

ETUDE THEORIQUE DE L'ACIDITE DES HYDROGENES DU GROUPEMENT METHYLE EN POSITION ALPHA D'UNE FONCTION CARBONYLE. APPLICATION A LA MOLECULE D'ACETALDEHYDEABOU RACHID H; LARRIEU C; CHAILLET M et al.1983; TETRAHEDRON; ISSN 0040-4020; GBR; DA. 1983; VOL. 39; NO 8; PP. 1307-1312; ABS. ENG; BIBL. 16 REF.Article

AB INITIO STUDY OF ELECTRONIC COUPLING IN THE AQUEOUS FE²⁺-FE³⁺ ELECTRON EXCHANGE PROCESSLOGAN J; NEWTON MD.1983; JOURNAL OF CHEMICAL PHYSICS; ISSN 0021-9606; USA; DA. 1983; VOL. 78; NO 6; PART. 2; PP. 4086-4091; BIBL. 22 REF.Article

THE METHYLENOXONIUM RADICAL CATION (CH₂OH₂^+.: A SURPRISINGLY STABLE ISOMER OF THE METHANOL RADICAL CATIONBOUMA WJ; NOBES RH; RADOM L et al.1982; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1982; VOL. 104; NO 10; PP. 2929-2930; BIBL. 12 REF.Article

THEORETICAL STUDY OF THE BARRIER TO NITROGEN INVERSION IN N-CYANO- AND N-DIAZOFORMIMINE. MECHANISM OF THE SCHMIDT REACTIONBACH RD; WOLBER GJ.1982; J. ORG. CHEM.; ISSN 0022-3263; USA; DA. 1982; VOL. 47; NO 2; PP. 239-245; BIBL. 23 REF.Article

AB INITIO HARTREE-FOCK CALCULATIONS OF MODEL POLYACETYLENE CHAINS USING A CHRISTOFFERSEN BASIS SETBREDAS JL; ANDRE JM; DELHALLE J et al.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 87; NO 3; PP. 237-245; BIBL. 21 REF.Article

AN AB INITIO DETERMINATION OF THE RATE CONSTANT FOR H+H₂CO->H₂+HCOHARDING LB; SCHATZ GC.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 8; PP. 4296-4297; BIBL. DISSEM.Article

DIAMOND STRUCTURE VERSUS WURTZITE STRUCTURE FOR SILICONSANCHES DEHESA J; VERGES JA; TEJEDOR C et al.1981; SOLID STATE COMMUN.; ISSN 0038-1098; USA; DA. 1981; VOL. 38; NO 9; PP. 871-873; BIBL. 14 REF.Article

ETUDE THEORIQUE DE LA FLEXIBILITE STRUCTURALE NON CLASSIQUE AVEC DESTRUCTION DE L'ANION DANS LA MOLECULE COMPLEXE LI₂BEH₄BOLDYREV AI; SUKHANOV LP; ZAKZHEVSKIJ VG et al.1981; Z. NEORG. HIM.; ISSN 0044-457X; SUN; DA. 1981; VOL. 26; NO 3; PP. 565-572; BIBL. 12 REF.Article

CRYSTAL ORBITAL STUDIES OF THE (HCN)_X CHAINKERTESZ M; KOLLER J; AZMAN A et al.1980; CHEM. PHYS. LETTERS; NLD; DA. 1980; VOL. 69; NO 2; PP. 225-226; BIBL. 4 REF.Article

EFFECT OF HYDRATION AND RIBOSE RING PUCKERING ON THE ENTHALPY OF HYDROLYSIS OF CYCLIC ADENOSINE 3',5'-MONOPHOSPHATE. A QUANTUM-CHEMICAL STUDYSCHEFFERS SAP MME; BUCK HM.1980; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1980; VOL. 102; NO 21; PP. 6422-6424; BIBL. 16 REF.Article

THEORY VERSUS EXPERIMENT: THE CASE OF GLYCINESCHAEFER L; SELLERS HL; LOVAS FJ et al.1980; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1980; VOL. 102; NO 21; PP. 6566-6568; BIBL. 10 REF.Article

VIBRATIONAL SPECTRA OF POLYATOMIC MOLECULES AND POLYMERSBLOM CE.1980; LECTURE NOTES PHYS.; DEU; DA. 1980; NO 113; PP. 233-239; BIBL. 17 REF.Conference Paper

AB INITIO TECHNIQUES FOR GROUND STATE CALCULATIONS ON POLYMERSKERTESZ M; KOLLER J; AZMAN A et al.1980; LECTURE NOTES PHYS.; DEU; DA. 1980; NO 113; PP. 56-79; BIBL. 42 REF.Conference Paper

ADDENDUM TO "AB INITIO TREATMENT OF FINAL-STATE SPIN-ORBIT INTERACTIONS: PHOTOIONIZATION OF THE 6S ELECTRON IN CESIUM"KEH NING HUANG; STARACE AF.1980; PHYS. REV. A; ISSN 0556-2791; USA; DA. 1980; VOL. 22; NO 1; PP. 318-320; BIBL. 19 REF.Article