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Results 1 to 25 of 2022

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APPLICATION OF SOME METHODS OF CONSTRAINED OPTIMIZATION TO THE CALCULATION OF THE MOLECULAR STRAIN ENERGY.CARBALLEIRA L; CASADO J; RIOS MA et al.1976; CHEM. PHYS.; NETHERL.; DA. 1976; VOL. 12; NO 1; PP. 71-75; BIBL. 21 REF.Article

ON THE RELATION BETWEEN THE SPATIAL ELECTRON DENSITY AND THE CONFORMATIONAL PROPERTIES OF MOLECULAR SYSTEMS.HAGLER AT.1977; ISRAEL J. CHEM.; ISRAEL; DA. 1977; VOL. 16; NO 2-3; PP. 202-212; BIBL. 35 REF.Article

CONFORMATIONAL INTERCONVERSIONS OF CIS, CIS-CYCLOOCTADIENE-1,5.ERMER O.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 13; PP. 3964-3970; BIBL. 20 REF.Article

REPRESENTATIONS OF MOLECULAR FORCE FIELDS. II. A MODIFIED UREY-BRADLEY FIELD AND AN EXAMINATION OF ALLINGER'S GAUCHE HYDROGEN HYPOTHESIS.FITZWATER S; BARTELL LS.1976; J. AMER. CHEM. SOC.; U.S.A.; DA. 1976; VOL. 98; NO 17; PP. 5107-5115; BIBL. 39 REF.Article

THE EFFECT OF NON-BONDED H...H POTENTIALS ON CALCULATED MOLECULAR CONFORMATIONS AND STERIC ENERGIES.WHITE DNJ; BOVILL MJ.1976; J. MOLEC. STRUCT.; NETHERL.; DA. 1976; VOL. 33; NO 2; PP. 273-277; BIBL. 22 REF.Article

CALCULATION OF MOLECULAR STRUCTURE AND ENERGY BY FORCE-FIELD METHODS.ALLINGER NL.1976; ADV. PHYS. ORG. CHEM.; U.S.A.; DA. 1976; VOL. 13; PP. 1-82; BIBL. 6 P. 1/2Article

CONFORMATIONAL ANALYSIS . CXXIV. THE CONFORMATION OF RING A IN THE 4,4-DIMETHYL-3-ANDROSTANONE SYSTEM. THE CRYSTAL STRUCTURE OF 4,4-DIMETHYLANDROSTAN-3-ON-17 BETA -YL BENZOATE.ALLINGER NL; BURKERT U; DE CAMP WH et al.1977; TETRAHEDRON; G.B.; DA. 1977; VOL. 33; NO 15; PP. 1891-1895; BIBL. 22 REF.Article

CONFORMATIONS OF ALPHA - AND BETA -D-GLUCOPYRANOSE FROM AN EMPIRICAL FORCE FIELD.KILDEBY K; MELBERG S; RASMUSSEN K et al.1977; ACTA CHEM. SCAND., A; DANEM.; DA. 1977; VOL. 31; NO 1; PP. 1-13; BIBL. 29 REF.Article

THE GLOBAL MINIMUM ENERGY CONFORMATION OF CYCLOTETRAGLYCYL.WHITE DNJ; MORROW C.1977; TETRAHEDRON LETTERS; G.B.; DA. 1977; NO 38; PP. 3385-3388; BIBL. 12 REF.Article

THE PRINCIPLES AND PRACTICE OF MOLECULAR MECHANICS CALCULATIONS.WHITE DNJ.1977; COMPUTERS AND CHEM.; G.B.; DA. 1977; VOL. 1; NO 3; PP. 225-233; BIBL. 36 REF.Article

CONFORMATION ENERGY ANALYSIS OF SUBSTITUTED DIPHENYLETHANES. I. EMPIRICAL FORCE FIELD- AND CNDO/2-CALCULATIONS ON DIBENZYL.IVANOV P; POJARLIEFF I; TYUTYULKOV N et al.1976; IZVEST. KHIM.; BALG.; DA. 1976; VOL. 9; NO 3; PP. 516-529; ABS. BULG.; BIBL. 42 REF.Article

A THEORETICAL STUDY OF CONFIGURATIONAL INVERSION IN 1,1'-BINAPHTHYL BY MOLECULAR MECHANICS.CARTER RE; LILJEFORS T.1976; TETRAHEDRON; G.B.; DA. 1976; VOL. 32; NO 23; PP. 2915-2922; BIBL. 23 REF.Article

CONFORMATIONS OF DISACCHARIDES BY EMPIRICAL FORCE-FIELD CALCULATIONS. II: BETA -CELLOBIOSEMELBERG S; RASMUSSEN K.1979; CARBOHYD. RES.; NLD; DA. 1979; VOL. 71; PP. 25-34; BIBL. 21 REF.Article

MOLMEC, A GENERAL APPROACH TO MOLECULAR MECHANICS COMPUTATIONS.DETAR DF.1977; COMPUTERS AND CHEM.; G.B.; DA. 1977; VOL. 1; NO 3; PP. 141-144; BIBL. 12 REF.Article

ZUR BERECHNUNG VON BINDUNGSABSTAENDEN AUS VALENZKRAFTKONSTANTEN (SIEBERT-BADGER-JENSOVSKY-ITERATION). = EVALUATION DES LONGUEURS DE LIAISON A PARTIR DES CONSTANTES DE FORCE DE VALENCE (ITERATION DE SIEBERT-BADGER-JENSOVSKY)FADINI A; KEMMLER SACK S.1977; Z. ANORG. ALLG. CHEM.; DTSCH.; DA. 1977; VOL. 436; NO 9; PP. 210-212; ABS. ANGL.; BIBL. 15 REF.Article

CALCULATION OF MOLECULAR PROPERTIES USING FORCE FIELDS. APPLICATIONS IN ORGANIC CHEMISTRY.ERMER O.1976; STRUCT. AND BONDG; GERM.; DA. 1976; VOL. 27; PP. 161-211; BIBL. 3 P.Article

CONFORMATIONS IN DIFFERENT PHYSICAL STATES AND MOLECULAR CATALYST PROPERTIES OF 18-CROWN-6 OR 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANEPERRIN R; DECORET C; BERTHOLON G et al.1983; NOUVEAU JOURNAL DE CHIMIE; ISSN 0398-9836; FRA; DA. 1983; VOL. 7; NO 4; PP. 263-268; ABS. FRE; BIBL. 36 REF.Article

STRAIN-REACTIVITY RELATIONS AS A TOOL FOR THE LOCALIZATION OF TRANSITION STATES. EQUILIBRIA, SOLVOLYSIS, AND REDOX REACTIONS OF SUBSTITUTED CYCLOALKANESSCHNEIDER HJ; SCHMIDT G; THOMAS F et al.1983; JOURNAL OF THE AMERICAN CHEMICAL SOCIETY; ISSN 0002-7863; USA; DA. 1983; VOL. 105; NO 11; PP. 3556-3563; BIBL. DISSEM.Article

A COMPARATIVE STUDY OF THE STRUCTURE OF 2,3-DIMETHYL-2-BUTENEDOMS L; VAN DEN ENDEN L; GEISE HJ et al.1983; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1983; VOL. 94; NO 3; PP. 241-249; BIBL. 20 REF.Article

A STUDY OF MOLECULAR MECHANICS OF THE GEOMETRIC ISOMERS OF BENZENE HEXACHLORIDE, BENZENE TETRACHLORIDE, AND NAPHTHALENE TETRACHLORIDEDE LA MARE PBD; HALL D; PAVITT N et al.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 114-122; BIBL. 43 REF.Article

A DYNAMIC STUDY OF THE STEREOISOMERIZATION OF PENTAPHENYLETHANE BY MOLECULAR MECHANICS METHODSBERNARDINELLI G; GERDIL R.1981; HELV. CHIM. ACTA; ISSN 0018-019X; CHE; DA. 1981; VOL. 64; NO 5; PP. 1372-1378; BIBL. 7 REF.Article

A MOLECULAR MECHANICS CALCULATION OF CONFORMATIONAL ENERGIES AND BARRIER HEIGHTS IN HALOALKANESABRAHAM RJ; STOLEVIK R.1981; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1981; VOL. 77; NO 1; PP. 181-185; BIBL. 32 REF.Article

INCLUSION OF NON-BONDED INTERACTIONS IN CALCULATIONS OF VIBRATIONAL FREQUENCESSUNDIUS T; RASMUSSEN K.1980; J. MOLEC. STRUCT.; NLD; DA. 1980; VOL. 65; PP. 215-218; BIBL. 9 REF.Article

EMPIRICAL FORCE FIELD CALCULATIONS. V: BICYCLO (2.2.0) HEXANE AND ITS SEVEN 1,2,3,4,5,6-HEXAMETHYL DERIVATIVESBAAS JMA; VAN DE GRAAF B; VAN RANTWIJK F et al.1979; TETRAHEDRON; GBR; DA. 1979; VOL. 35; NO 3; PP. 421-423; BIBL. 9 REF.Article

REPRESENTATIONS OF MOLECULAR FORCE FIELDS. V. ON THE EQUILIBRIUM STRUCTURE OF METHANE.BARTELL LS; KUCHITSU K.1978; J. CHEM. PHYS.; U.S.A.; DA. 1978; VOL. 68; NO 3; PP. 1213-1215; BIBL. 17 REF.Article

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