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Results 1 to 25 of 1459

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ANALYSE CONFORMATIONNELLE THEORIQUE DU BIAZIRIDYLE.PELISSIER M; LABARRE JF; LEIBOVICI C et al.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 20; NO 3; PP. 421-428; ABS. ANGL.; BIBL. 7 REF.Article

MATRIX REACTIONS OF CESIUM ATOMS WITH OXYGEN MOLECULES. INFRARED SPECTRUM AND VIBRATIONAL ANALYSIS OF CO+O2-. INFRARED OBSERVATION OF CS+O22-CS+ AND CS+O4-. THEORETICAL STRUCTURE ELUCIDATION OF M+O4-ANDREWS L; JENN TAI HWANG; TRINDLE C et al.1973; J. PHYS. CHEM.; U.S.A.; DA. 1973; VOL. 77; NO 8; PP. 1065-1073; BIBL. 27 REF.Serial Issue

MODEL FOR A THREE-CENTER DECOMPOSITION REACTION. I. PERFLUORODIAZIRINETSCHUIKOW ROUX E; JUNG KH.1975; INTERNATION. J. CHEM. KINET.; U.S.A.; DA. 1975; VOL. 7; NO 5; PP. 649-660; BIBL. 25 REF.Article

THE INDO AND CNDO/2 SCF LCAO MO CALCULATION OF INTERMOLECULAR FORCES AND THEIR PAIRWISE ADDITIVITY.HASHIMOTO M; ISOBE T.1974; BULL. CHEM. SOC. JAP.; JAP.; DA. 1974; VOL. 47; NO 1; PP. 40-44; BIBL. 32 REF.Article

A QUANTUM CHEMICAL STUDY OF AN ISOGERMACRONE-TYPE MOLECULENEYKOV GD; BOZHKOVA NV; ORAHOVATS AS et al.1982; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1982; VOL. 90; NO 3-4; PP. 279-282; BIBL. 15 REF.Article

PORPHYRINS. XLII: GROUND AND EXCITED STATE CALCULATIONS ON THE ISOMERS OF FREE BASE PORPHINE AND SIROHYDROCHLORINRAWLINGS DC; DAVIDSON ER; GOUTERMAN M et al.1982; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 61; NO 3; PP. 227-241; BIBL. 16 REF.Article

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

ANALYSE DES VARIATIONS AVEC LA CONFORMATION DES CONSTANTES DE COUPLAGE SPIN-SPIN DES PROTONS DANS LE BUTADIENEMAMAEV VM; ORAZBERDIEV KH A; SERGEEV NM et al.1975; DOKL. AKAD. NAUK S.S.S.R.; S.S.S.R.; DA. 1975; VOL. 220; NO 4; PP. 877-880; BIBL. 11 REF.Article

A SELF-CONSISTENT FIELD MOLECULAR ORBITAL THEORY WITH "INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP", BASED ON THE ATOMIC VALENCE STATE CONCEPT.FIGEYS HP; GEERLINGS P; VAN ALSENOY C et al.1975; BULL. SOC. CHIM. BELGES; BELG.; DA. 1975; VOL. 84; NO 3; PP. 145-158; BIBL. 2 P.Article

EXPRESSION OF MONOCENTRIC REPULSION INTEGRALS IN THE BASIS OF S,P,D ATOMIC ORBITALS.PELIKAN P; NAGY LT.1974; CHEM. ZVESTI; CESKOSL.; DA. 1974; VOL. 28; NO 5; PP. 594-598; BIBL. 7 REF.Article

INDO CALCULATION OF 13C CHEMICAL SHIFTS BY THE FINITE PERTURBATION METHOD.FUKUI H.1974; BULL. CHEM. SOC. JAP.; JAP.; DA. 1974; VOL. 47; NO 3; PP. 751-752; BIBL. 5 REF.Article

LEVEL CROSSINGS IN INDO BENDING POTENTIALS FOR CO2.VAN CATLEDGE FA.1974; SPECTROSC. LETTERS; U.S.A.; DA. 1974; VOL. 7; NO 8; PP. 405-408; BIBL. 7 REF.Article

PHOTOELECTRON SPECTRUM (HEI) OF 9-METHYLANTHRACENE.HINO S; INOKUCHI H.1974; CHEM. LETTERS; JAP.; DA. 1974; NO 4; PP. 363-368; BIBL. 9 REF.Article

WHY NOT USE POINT CHARGE MODELS FOR THE DETERMINATION OF BOND ANGLES.TAKAHATA Y; ERI T; L'HAYA YT et al.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 26; NO 4; PP. 557-560; BIBL. 12 REF.Article

APPLICATION OF THE INDO MOLECULAR ORBITAL METHOD TO ORTHO EFFECTS IN MASS SPECTRA. CLEAVAGE OF CIS-BETA -METHOXYSTYRENEJAR LIN KAO; PARKER CE; BURSEY MM et al.1974; ORG. MASS SPECTROM.; G.B.; DA. 1974; VOL. 9; NO 7; PP. 679-685; BIBL. 11 REF.Article

BERECHNUNGEN ZUR BEHINDERTEN INNEREN ROTATION = CALCULS SUR LA ROTATION INTERNE EMPECHEEROTH HK.1972; WISSENSCH. Z. KARL-MARX-UNIV. LEIPZIG, MATH.-NATURWISSENSCH. REIHE; DTSCH.; DA. 1972; VOL. 21; NO 6; PP. 637-643; BIBL. 16 REF.Serial Issue

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

THEORETICAL INVESTIGATION OF THE DIBORANYL RADICAL B2H5.EDLUND O; SOHMA J.1975; MOLEC. PHYS.; G.B.; DA. 1975; VOL. 29; NO 4; PP. 1129-1239; BIBL. 8 REF.Article

DETERMINATION DE LA STRUCTURE ELECTRONIQUE DE L'ION PROPYLENE-BENZENIUM PAR LA METHODE SEMI-EMPIRIQUE INDO: SITE PREFERENTIEL D'ATTAQUE NUCLEOPHILELOUPY A; ANCIAN B.1975; TETRAHEDRON LETTERS; G.B.; DA. 1975; NO 11; PP. 951-954; BIBL. 16 REF.Article

RELATION ENTRE LA CHARGE EFFECTIVE DE L'ATOME DANS LA MOLECULE ET LE DEPLACEMENT CHIMIQUE DES NOYAUX 13C DANS LES SPECTRES RMNSOLKAN VN; SERGEEV NM.1975; VEST. MOSKOV. UNIV., 2; S.S.S.R.; DA. 1975; VOL. 16; NO 1; PP. 95-98; ABS. ANGL.; BIBL. 18 REF.Article

HARMONIC FORCE FIELDS FROM MOLECULAR ENERGY CALCULATIONS. TESTS OF A METHOD USING INDO AND MINDO/2 SEMIEMPIRICAL MOLECULAR ENERGIES.NELANDER B; RIBBEGARD G.1974; J. MOLEC. STRUCT.; NETHERL.; DA. 1974; VOL. 20; NO 3; PP. 325-333; BIBL. 35 REF.Article

IS THE RADICAL CLF4 PLANAR OR NOT.GREGORY AR.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 9; PP. 3713-3714; BIBL. 17 REF.Article

ON THE STRUCTURE OF THE RADICAL SF5.GREGORY AR.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 28; NO 4; PP. 552-554; BIBL. 12 REF.Article

PHOTOELECTRON SPECTRA OF MODERATE SIZED MOLECULES.FROST DC; HERRING FG; MCDOWELL CA et al.1974; IN: CHEM. SPECTROSC. PHOTOCHEM. VAC. ULTRAVIOLET. PROC. ADV. STUDY INST.; VALMORIN, QUE.; 1973; DORDRECHT, HOLL.; D. REIDEL; DA. 1974; PP. 237-246; BIBL. 1 P. 1/2Conference Paper

THEORETICAL CALCULATION OF THE CARBON-13 CHEMICAL SHIFTS OF SOME NORMAL ALKANES BY THE LINEAR COMBINATION OF GAUGE INVARIANT ATOMIC ORBITALS-MOLECULAR ORBITAL THEORY USING INDO AND MINDO/2 METHODS.ANDO I; NISHIOKA A; KONDO M et al.1974; BULL. CHEM. SOC. JAP.; JAP.; DA. 1974; VOL. 47; NO 5; PP. 1097-1104; BIBL. 16 REF.Article

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