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KRITISCHE ANALYSE GENAEHERTER LCAO-MO-METHODEN. II: ZUM INVARIANZPROBLEM BEI DIATOMIC-INDO-VERFAHREN = ANALYSE CRITIQUE DES METHODES APPROCHEES LCAO-MO. II. LE PROBLEME D'INVARIANCE DANS LE PROCEDE INDO DIATOMIQUEBIRNER P; REINHOLD J.1979; WISSENSCH. Z. KARL-MARX-UNIV. LEIPZIG, MATH.-NATURWISSENSCH. REIHE; DDR; DA. 1979; VOL. 28; NO 6; PP. 641-645; BIBL. 11 REF.Article

AN MO CALCULATION OF THE REACTION PATH OF A SYMMETRY-DISFAVORED 1,3-SIGMATROPIC REARRANGEMENT.MINATO T; INAGAKI S; FUJIMOTO H et al.1977; BULL. CHEM. SOC. JAP.; JAP.; DA. 1977; VOL. 50; NO 7; PP. 1651-1656; BIBL. 14 REF.Article

E.S.R. STUDIES OF FREE RADICALS DERIVED FROM REACTION OF OH WITH URACIL AND THYMINEPLANINIC J.1980; INT. J. RADIAT. BIOL. RELAT. STUD. PHYS. CHEM. MED.; ISSN 0020-7616; GBR; DA. 1980; VOL. 38; NO 6; PP. 651-659; ABS. FRE/GER; BIBL. 18 REF.Article

THE NONPLANAR PEPTIDE UNIT. IV: GEOMETRY AND NONPLANAR DISTORSIONS OF THE CIS-PEPTIDE UNITKOLASKAR AS; SARATHY KP.1980; BIOPOLYMERS; USA; DA. 1980; VOL. 19; NO 7; PP. 1345-1355; BIBL. 25 REF.Article

THE (12)ANNULENE ANION RADICALSTEVENSON GR; CONCEPCION R; REITER RC et al.1983; JOURNAL OF ORGANIC CHEMISTRY; ISSN 0022-3263; USA; DA. 1983; VOL. 48; NO 16; PP. 2777-2778; BIBL. DISSEM.Article

KINETIC APPLICATIONS OF ELECTRON PARAMAGNETIC RESONANCE SPECTROSCOPY. XXXIII: DIAZIRINYL RADICALSMAEDA Y; INGOLD KU.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 4; PP. 837-840; BIBL. 38 REF.Article

ELECTROCHEMICAL DECOMPOSITION OF BIFORMYLPEROXIDE. A QUANTUM MECHANICAL CALCULATION.ALBECK M; SHAIK S.1978; J. CHEM. SOC., FARADAY TRANS., 1; G.B.; DA. 1978; NO 6; PP. 1496-1499; BIBL. 6 REF.Article

CNDO/INDO FORMALISM FOR TRANSITION METALS.FANNING MO; FITZPATRICK NJ.1977; PROC. R. IRISH ACAD., B; IREL.; DA. 1977; VOL. 77; NO 19-47; PP. 457-463; BIBL. 9 REF.Article

ROTATIONAL INVARIANCE OF INDO THEORIES INCLUDING D-ORBITALS INTO THE BASIS SET.FIGEYS HP; GEERLINGS P; VAN ALSENOY C et al.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 5; PP. 705-713; ABS. FR. ALLEM.; BIBL. 15 REF.Article

MOLECULAR ORBITAL CALCULATIONS ON TRANSITION METAL COMPLEXES. XIV. ELECTRONIC STRUCTURE OF CHROMOCENE.CLACK DW; MONSHI M.1976; J. ORGANOMETAL. CHEM.; SWITZ.; DA. 1976; VOL. 116; NO 3; PP. C41-C44; BIBL. 16 REF.Article

ON THE USE OF NDO APPROXIMATE WAVEFUNCTIONS IN THE EVALUATION OF MOMENTUM DENSITY AND RADIAL MOMENTUM DENSITY DISTRIBUTIONS IN POLYATOMIC MOLECULES.FIGEYS HP; GEERLINGS P; VAN ALSENOY C et al.1976; THEOR. CHIM. ACTA; ALLEM.; DA. 1976; VOL. 41; NO 1; PP. 335-344; BIBL. 39 REF.Article

ESR DETECTION OF THE DIMETHYL ETHER RADICAL CATIONJIH TZONG WANG; WILLIAMS F.1981; J. AM. CHEM. SOC.; ISSN 0002-7863; USA; DA. 1981; VOL. 103; NO 23; PP. 6994-6996; BIBL. 21 REF.Article

SEMIEMPIRICAL CALCULATIONS OF DEFECT PROPERTIES IN LIF CRYSTAL. I: PERFECT CRYSTALSHLUGER AL; KOTOMIN EA.1981; PHYS. STATUS SOLIDI (B), BASIC RES.; ISSN 0370-1972; DDR; DA. 1981; VOL. 108; NO 2; PP. 673-681; ABS. RUS; BIBL. 44 REF.Article

SOME SELF-CONSISTENT PERTURBATION CALCULATIONS OF 1J(CC)KHIN T; WEBB GA.1979; ORG. MAGNET. RESON.; GBR; DA. 1979; VOL. 12; NO 2; PP. 103-106; BIBL. 24 REF.Article

ETUDE THEORIQUE D'UN SITE CARBONE INTERSTITIEL DANS UN CARBONE PREGRAPHITIQUEJULG A; RAJZMANN M.1979; CARBON; GBR; DA. 1979; VOL. 17; NO 4; PP. 335-337; ABS. ENG; BIBL. 9 REF.Article

STEREODYNAMICS OF ENANTIOMERIZATION IN BIS(DIISOPROPYL-AMINO) AMINOBORANES.CURRY KK; GILJE JW.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 5; PP. 1442-1449; BIBL. 18 REF.Article

APPLICATION DE LA METHODE DE HARTREE-FOCK SANS CONTRAINTE A L'APPROXIMATION INDO POUR L'ANALYSE DES ETATS DE TRANSITION DANS LA REACTION H+CH4->H2+CH3MOSKOVSKAYA T EH; SCHASTNEV PV.1977; TEOR. EKSPER. KHIM., U.S.S.R.; S.S.S.R.; DA. 1977; VOL. 13; NO 5; PP. 665-669; BIBL. 8 REF.Article

ETUDE DE LA RELATION ANGULAIRE DE L'ENERGIE DE DISSOCIATION DE LA LIAISON CH DANS LE RADICAL DIMETHYLNITROXYLE PAR LA METHODE INDOMARKINA TI; GABDRAKIPOV VZ; AGASHKIN OV et al.1980; DOKL. AKAD. NAUK SSSR; ISSN 0002-3264; SUN; DA. 1980; VOL. 254; NO 1; PP. 155-156; BIBL. 15 REF.Article

ABLEITUNG VON UEBERLAPPUNGSINTEGRALEN NACH KARTESISCHEN KOORDINATEN = DEDUCTION DES INTEGRALES DE RECOUVREMENT EN COORDONNEES CARTESIENNESREINHOLD J; ZWANZIGER H; STEINBRUCK C et al.1979; WISSENSCH. Z. KARL-MARX-UNIV. LEIPZIG, MATH.-NATURWISSENSCH. REIHE; DDR; DA. 1979; VOL. 28; NO 6; PP. 661-666; BIBL. 5 REF.Article

PLASMA POLYMERIZATION: AN ESCA INVESTIGATION OF POLYMERS SYNTHESIZED BY EXCITATION OF INDUCTIVELY COUPLED RF PLASMAS IN ISOMERIC DIFLUOROETHYLENESCLARK DT; SHUTTLEWORTH D.1979; J. POLYM. SCI., POLYM. CHEM. ED.; USA; DA. 1979; VOL. 17; NO 5; PP. 1317-1329; BIBL. 20 REF.Article

PROTONATION AND PROTON AFFINITY OF ANISOLE: A THEORETICAL STUDYCATALAN J; YANEZ M.1979; J. AMER. CHEM. SOC.; USA; DA. 1979; VOL. 101; NO 13; PP. 3490-3492; BIBL. 25 REF.Article

CALCUL DE LA STRUCTURE ELECTRONIQUE DE MACROSTRUCTURES REGULIERES EN TENANT COMPTE DE L'AUTOCOHERENCE LORS DU CHOIX DES ELEMENTS MATRICIELSGAGARIN SG.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 4; PP. 719-721; BIBL. 7 REF.Article

DIPHENYLCARBENE: INDO CALCULATIONS ON SEVERAL GEOMETRICAL CONFORMATIONS.METCALFE J; HALEVI EA.1977; J. CHEM. SOC., PERKIN TRANS., 2; G.B.; DA. 1977; NO 5; PP. 634-639; BIBL. DISSEM.Article

A NEW ORBITAL RELOCALIZATION PROCEDURE IN THE THEORY OF PROTON-PROTON COUPLINGS.LOZACH R.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 42; NO 1; PP. 93-96; BIBL. 18 REF.Article

THE BAND STRUCTURE OF POLYFERROCENYLENEBOEHM MC.1983; PHYSICS LETTERS SECTION A; ISSN 0375-9601; NLD; DA. 1983; VOL. 93; NO 4; PP. 205-208; BIBL. 17 REF.Article

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