kw.\*:("NDDO METHOD")
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A SEMIEMPIRICAL MODEL FOR TWO-CENTER REPULSION INTEGRALS IN THE NDDO APPROXIMATION.DEWAR MJS; THIEL W.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 46; NO 2; PP. 89-104; BIBL. 23 REF.Article
AM1: a new general purpose quantum mechanical molecular modelDEWAR, M. J. S; ZOEBISCH, E. G; HEALY, E. F et al.Journal of the American Chemical Society. 1985, Vol 107, Num 13, pp 3902-3909, issn 0002-7863Article
SEMIEMPIRICAL CALCULATIONS OF MOLECULAR VIBRATIONAL FREQUENCIES: THE MNDO METHOD.DEWAR MJS; FORD GP; MCKEE ML et al.1978; J. MOLEC. STRUCT.; NETHERL.; DA. 1978; VOL. 43; NO 1; PP. 135-138; BIBL. 15 REF.Article
A RE-EXAMINATION OF THE JUSTIFICATION OF NEGLECT OF DIFFERENTIAL OVERLAP APPROXIMATIONS IN TERMS OF A POWER SERIES EXPANSION IN SCHANDLER GS; GRADER FE.1980; THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 54; NO 2; PP. 131-144; BIBL. 16 REF.Article
ZUM KONFORMATIVEN VERHALTEN EINER REIHE VON ALPHA -DIIMINLIGANDEN = SUR LA STRUCTURE CONFORMATIONNELLE DE CERTAINS COORDINATS ALPHA -DIIMINEBENEDIX R; BIRNER P; HENNIG H et al.1980; Z. CHEM.; DDR; DA. 1980; VOL. 20; NO 9; PP. 346-347; BIBL. 13 REF.Article
Theoretical study on the molecular structure of fluoroethanesKISS, A. I; LOPATA, A.Journal of molecular structure. 1983, Vol 104, Num 3-4, pp 411-420, issn 0022-2860Article
NDDO/CI calculations of the electronic spectra of cobalt(III) ammine complexesBENEDIX, R; HENNIG, H; NIEKE, C et al.Inorganica chimica acta. 1990, Vol 172, Num 1, pp 109-112, issn 0020-1693Article
BERECHNUNG DER MONOHYDRATE VON NO2-- UND NO3--IONEN NACH DEM CNDO/2- UND NDDO/-VERFAHREN = CALCUL DES MONOHYDRATES DES IONS NO2-- ET NO3-- PAR LES METHODES CNDO/2 ET NDDOKELM H; KOEHLER HJ; VOLKMER P et al.1980; Z. PHYS. CHEM.; ISSN 0323-4479; DDR; DA. 1980; VOL. 261; NO 3; PP. 457-463; BIBL. 11 REF.Article
QUANTENCHEMISCHE UNTERSUCHUNGEN ZUR FARBE UND STEREODYNAMIK VON ACYCLISCHEN AZINEN. VIII: S0-STRUKTURSTABILITAET UND SPEZIFISCHE NICHT-BINDENDE WECHSELWIRKUNGEN BEIM 1-(ALPHA -NAPHTHYL)-FORMALDAZIN-VERGLEICHEND-BETRACHTUNGEN IM RAHMEN DER PPP-NBI- UND NDDO-METHODE = CALCUL DE CHIMIE QUANTIQUE SUR LA COULEUR ET LA STEREODYNAMIQUE D'AZINES ACYCLIQUES. VIII: STABILITE DE LA STRUCTURE S0 ET COMPARAISON DES INTERACTIONS SPECIFIQUES NON LIEES DANS L'(ALPHA -NAPHTYL)1 FORMALDAZINE. ETUDE DANS LE CADRE DES METHODES PPP-NBI- ET NDDOGUSTAV K; VETTERMANN S; BIRNER P et al.1980; WISSENSCHAFTL. Z. FRIEDRICH-SCHILLER-UNIV. JENA, MATH.-NATURWISSENSCHAFTL. REIHE; ISSN 0043-6836; DDR; DA. 1980; VOL. 29; NO 5-6; PP. 721-725; ABS. RUS/ENG; BIBL. 10 REF.Article
CALCUL QUANTOCHIMIQUE SEMIEMPIRIQUE DES CONSTANTES DE COUPLAGE SPIN-SPIN 1J(13CH) ET 3J(13CH)SOLKAN VN; LEONIDOV NB.1979; ZH. STRUKT. KHIM.; SUN; DA. 1979; VOL. 20; NO 6; PP. 1104-1106; BIBL. 16 REF.Article
MOLECULAR ORBITAL CONSTRAINT OF INTERACTION COORDINATES. AN APPROXIMATE QUADRATIC POTENTIAL FUNCTION.SWANSON BI; ARNOLD TH; DEWAR MJS et al.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 3; PP. 771-777; BIBL. 37 REF.Article
QUANTUM CHEMICAL INVESTIGATIONS OF THE CONFORMATIONAL STRUCTURE OF PROTONATED 2,2,-BIPYRIDINEBENEDIX R; BIRNER P; HENNIG H et al.1982; JOURNAL OF MOLECULAR STRUCTURE; ISSN 0022-2860; NLD; DA. 1982; VOL. 90; NO 1-2; PP. 65-69; BIBL. 24 REF.Article
INVESTIGATION OF THE MOLECULAR GEOMETRY OF DONOR-ACCEPTOR COMPLEXES BY THE NDDO METHODKISS AI; LUKOVITS I; HARGITTAI I et al.1981; Z. NATURFORSCH., A; ISSN 0340-4811; DEU; DA. 1981; VOL. 36; NO 3; PP. 283-285; BIBL. 19 REF.Article
ON THE CONFORMATIONAL STRUCTURE OF NICOTINAMIDE AND 1-METHYL-1,4 DIHYDRONICOTINAMIDEHOFMANN HJ; KUTHAN J.1979; COLLECT. CZECHOSL. CHEM. COMMUNIC.; CSK; DA. 1979; VOL. 44; NO 9; PP. 2633-2638; BIBL. 26 REF.Article
CALCUL QUANTOCHIMIQUE DES CONSTANTES D'INTERACTION SPIN-SPIN 1J(13CH) ET 3J(13CH) PAR LA METHODE DES PERTURBATIONS FINALES DANS L'APPROXIMATION NDDOSOLKAN VN; LEONIDOV NB.1979; IZVEST. AKAD. NAUK S.S.S.R., SER. KHIM.; SUN; DA. 1979; NO 5; PP. 1131-1134; BIBL. 13 REF.Article
CALCULATION OF CARBON-13 N.M.R. SHIELDING CONSTANTS OF CARBOCATIONS.BERNSTEIN T; GESCHKE D.1976; ORG. MAGNET. RESON.; G.B.; DA. 1976; VOL. 8; NO 9; PP. 487-488; BIBL. 10 REF.Article
DERIVEES DU MOMENT DIPOLAIRE DES MOLECULES U2V6 DE SYMETRIE D3D PAR RAPPORT AUX COORDONNEES NORMALES, OBTENUES DANS LE MODELE DES CHARGES ATOMIQUES EFFECTIVES, ET CALCUL DES PARAMETRES ELECTROOPTIQUES DE L'ETHANEPRIMA AM; PRIMA IA; LOVRIKOV AB et al.1983; OPTIKA I SPEKTROSKOPIJA; ISSN 0030-4034; SUN; DA. 1983; VOL. 54; NO 6; PP. 993-998; BIBL. 13 REF.Article
COMPARISON OF RHF, NDDO, AND MOM MOLECULAR ONE-ELECTRON EXPECTATION VALUES CALCULATED USING WEIGHTED AND UNWEIGHTED STO-NG(W) BASIS FUNCTIONSZEISS GD; WHITEHEAD MA.1983; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1983; VOL. 4; NO 1; PP. 48-52; BIBL. 41 REF.Article
QUANTUM CHEMICAL INVESTIGATIONS OF THE PI -ACCEPTOR ABILITY OF ALPHA -DIIMINE LIGANDSREINHOLD J; BENEDIX R; BIRNER P et al.1979; INORG. CHIM. ACTA; ITA; DA. 1979; VOL. 33; NO 2; PP. 209-213; BIBL. 32 REF.Article
QUANTUM CHEMICAL CALCULATIONS FOR THE DETERMINATION OF THE MOLECULAR STRUCTURE OF CONJUGATED COMPOUNDS. XIII. ON THE CONFORMATIONAL STRUCTURE OF TRANS-BENZYLIDENEANILINE IN THE GAS PHASE AND IN SOLUTION.HOFMANN HJ; BIRNSTOCK F.1978; J. MOLEC. STRUCT.; NETHERL.; DA. 1978; VOL. 44; NO 2; PP. 231-236; BIBL. 29 REF.Article
ANALYSE CRITIQUE DE SCHEMA NON EMPIRIQUE NDDO SUR L'EXEMPLE DU CALCUL DES MOLECULES CO ET CO2ZYUBIN AS; KLIMENKO NM; CHARKIN OP et al.1978; ZH. STRUKT. KHIM.; SUN; DA. 1978; VOL. 19; NO 4; PP. 579-586; BIBL. 17 REF.Article
CALCULATIONS OF ELECTRON AFFINITIES USING THE MNDO SEMIEMPIRICAL SCF-MO METHOD.DEWAR MJS; RZEPA HS.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 3; PP. 784-790; BIBL. 44 REF.Article
QUANTUM CHEMICAL CALCULATIONS FOR THE DETERMINATION OF THE MOLECULAR STRUCTURE OF CONJUGATED COMPOUNDS. XII. ON THE CONFORMATIONAL STRUCTURE OF STILBENE AND AZOBENZENE.HOFMANN HJ; BIRNER P.1977; J. MOLEC. STRUCT.; NETHERL.; DA. 1977; VOL. 39; NO 1; PP. 145-153; BIBL. 50 REF.Article
THEORETICAL STUDY ON THE MOLECULAR GEOMETRIES OF SUBSTITUTED FLUOROFORMSKISS AI; HARGITTAI I.1982; Z. NATURFORSCH. A; ISSN 0340-4811; DEU; DA. 1982; VOL. 37; NO 2; PP. 134-138; BIBL. 17 REF.Article
CALCUL DE LA STRUCTURE ELECTRONIQUE DES MOLECULES PAR LA METHODE NON EMPIRIQUE NDDOSYCHEV OF; MAKSYUTIN YU K.1982; TEOR. EKSP. HIM.; ISSN 0497-2627; UKR; DA. 1982; VOL. 18; NO 4; PP. 387-392; BIBL. 21 REF.Article