THE "INVARIANCE PRINCIPLE" IN APPROXIMATE MOLECULAR ORBITAL THEORIES.COOK DB.1975; THEOR. CHIM. ACTA; ALLEM.; DA. 1975; VOL. 40; NO 4; PP. 297-302; BIBL. 10 REF.Article

DEPENDENCE OF SPIN-ORBIT INTERACTION CONSTANTS ON ELECTRON CONFIGURATION OF ATOMS AND IONSPELIKAN P; LISKA M; CERNAY P et al.1980; CHEM. ZVESTI; ISSN 0366-6352; CSK; DA. 1980; VOL. 34; NO 5; PP. 577-588; ABS. RUS; BIBL. 14 REF.Article

ZUR THEORETISCHEN INTERPRETATION VON NMR-CHEMISCHEN VERSCHIEBUNGEN TETRAKOORDINIERTER ZENTRALATOME. I. GRUNDLAGEN UND ANWENDUNG AUF SILICIUMVERBINDUNGEN. = INTERPRETATION THEORIQUE DES DEPLACEMENTS CHIMIQUES DE LA RMN DES ATOMES CENTRAUX TETRACOORDINES. I. FONDEMENTS ET APPLICATION AUX COMPOSES DU SILICIUMRADEGLIA R.1975; Z. PHYS. CHEM., LEIPZIG; DTSCH.; DA. 1975; VOL. 256; NO 3; PP. 453-464; BIBL. 17 REF.Article

SOME THEORETICAL REMARKS ABOUT SEMIEMPIRICAL CALCULATION OF QUADRUPOLAR MOMENTSSANHUEZA JE.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 60; NO 2; PP. 143-157; BIBL. 35 REF.Article

ORBITALES MOLECULARES DE FUERZA MAXIMA = ORBITALES MOLECULAIRES DE FORCE MAXIMALECASADO J; RIOS MA; TATO V et al.1980; AN. QUIM.; ESP; DA. 1980; VOL. 76; NO 1; PP. 46-48; ABS. ENG; BIBL. 20 REF.Article

APROXIMACIONES NO-EMPIRICAS EN LA TEORIA LCAO-MO: FUNDAMENTOS Y APLICACIONES. = APPROXIMATIONS NON EMPIRIQUES DE LA THEORIE LCAO-MO: FONDEMENTS ET APPLICATIONSCARBO R; ARNAU C.1978; AFINIDAD; ESP.; DA. 1978; VOL. 35; NO 354; PP. 171-179; ABS. ANGL. CATALAN; BIBL. 32 REF.Article

EMPIRICAL CALCULATION OF THE DIAMAGNETIC SUSCEPTIBILITY OF MOLECULES.MAKSIC ZB.1976; CROAT. CHEM. ACTA; YUGOSL.; DA. 1976; VOL. 48; NO 3; PP. 309-316; ABS. YUGOSL.; BIBL. 11 REF.Article

A NEW PARAMETERIZATION IN SOME INVARIANT ZDO CALCULATIONS ON TIF₆^3-CIULLO G; SEMPRINI E; SGAMELOTTI A et al.1972; GAZZ. CHIM. ITAL.; ITAL.; DA. 1972; VOL. 102; PP. 1000-1007; ABS. ITAL.; BIBL. 20 REF.Serial Issue

A COMMENT ON SCF ENERGY PARTITIONING SCHEMESMOLINO LM; CANADELL E.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 60; NO 3; PP. 299-302; BIBL. 10 REF.Article

SIMPLE MOLECULAR ORBITAL TREATMENT OF DIATOMIC FORCE CONSTANTSZERNER MC; PARR RG.1978; J. CHEM. PHYS.; USA; DA. 1978; VOL. 69; NO 8; PP. 3858-3867; BIBL. 30 REF.Article

TOWARDS A MOLECULAR ORBITAL METHOD FOR THE CONFORMATIONAL ANALYSIS OF VERY LARGE BIOMOLECULES.NARAY SZABO G.1976; ACTA PHYS. ACAD. SCI. HUNGAR.; HONGR.; DA. 1976; VOL. 40; NO 4; PP. 261-273; BIBL. 35 REF.Article

A crystal orbital study on the one-dimensional metallomacrocycles tetraza porphin polysiloxane and tetraza porphin polygermyloxaneBÖHM, M. C.Chemical physics. 1984, Vol 86, Num 1-2, pp 17-30, issn 0301-0104Article

DIAMAGNETIC SUSCEPTIBILITY OF MOLECULES. I. THE EFFECT OF INTERATOMIC CHARGE TRANSFER IN ALKALI HALIDES.MAKSIC ZB; MIKAC N.1978; J. MOLEC. STRUCT.; NETHERL.; DA. 1978; VOL. 44; NO 2; PP. 255-259; BIBL. 12 REF.Article

INTERACTION OF WALSH ORBITALS IN TRISHOMOCYCLOHEPTATRIENES AND RELATED HYDROCARBONS.SPANGET LARSEN J; GLEITER R; DETTY MR et al.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 10; PP. 3005-3014; BIBL. 12 REF.Article

THE EVALUATION OF VIBRONIC COUPLING MATRIX ELEMENTS.ORLANDI G.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 44; NO 2; PP. 277-280; BIBL. 14 REF.Article

NECESSARY CONDITIONS FOR THE CALCULATION OF USEFUL ELECTROSTATIC ISOPOTENTIAL MAPS FROM CNDO/INDO WAVE-FUNCTIONSDUBEN AJ.1981; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1981; VOL. 59; NO 1; PP. 81-85; BIBL. 9 REF.Article

THEORETICAL CHEMISTRYRZEPA HS.1981; ANNU. REP. PROG. CHEM. SECT. B; ISSN 0069-3030; GBR; DA. 1981; VOL. 77; PP. 15-26; BIBL. 89 REF.Article

MOLECULAR ORBITAL CALCULATIONS BASED ON LINEAR COMBINATIONS OF FRAGMENT ORBITALS. I. BASIC THEORY AND INTERPRETATION OF PE SPECTRA OF PI SYSTEMSKLESSINGER M.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 49; NO 1; PP. 77-92; BIBL. 55 REF.Article

REEXAMEN DE L'APPROXIMATION DU RECOUVREMENT DIFFERENTIEL NUL DANS L'ETUDE THEORIQUE DES CONSTANTES DE COUPLAGE EN R.M.N.ARCHIREL P.1978; ; S.L.; DA. 1978; PP. 1-158; BIBL. DISSEM.; (THESE DOCT. 3E CYCLE; CINET. CHIM. CATAL.; CLAUDE-BERNARD LYON I)Thesis

CHARGE AND CURRENT DENSITIES FOR APPROXIMATE MOLECULAR WAVEFUNCTIONS.ATKINS PW; GOMES JANF.1976; MOLEC. PHYS.; G.B.; DA. 1976; VOL. 32; NO 4; PP. 1063-1074; BIBL. 8 REF.Article

ELECTROSTATIC POTENTIAL FIELD AND NUCLEOPHILICITY OF 3,5,8,10-TETRAMETHYL-ACEHEPTYLENE.ALMLOF J; HASELBACH E; JACHIMOWICZ F et al.1975; HELV. CHIM. ACTA; SUISSE; DA. 1975; VOL. 58; NO 8; PP. 2403-2409; BIBL. 16 REF.Article

GENERALIZED DIATOMICS-IN-MOLECULES THEORY. III: AN ACCURATE FIT TO THE THREE-DIMENSIONAL AB INITIO H₃ POTENTIAL SURFACEWU AJA.1981; MOL. PHYS.; ISSN 0026-8976; GBR; DA. 1981; VOL. 42; NO 2; PP. 379-384; BIBL. 12 REF.Article

ELECTRONIC STATES OF MOLECULES AND ATOM CLUSTERS: FOUNDATIONS AND PROSPECTS OF SEMIEMPIRICAL METHODSDEL RE G; BERTHIER G; SERRE J et al.1980; LECT. NOTES CHEM.; ISSN 0342-4901; DEU; DA. 1980; NO 13; 185 P.; BIBL. 18 P.Serial Issue

GENERALIZED DIATOMICS-IN-MOLECULES THEORY. II: ZERO DIFFERENTIAL OVERLAP APPROACHWU AJA.1980; MOLEC. PHYS.; GBR; DA. 1980; VOL. 39; NO 5; PP. 1287-1289; BIBL. 7 REF.Article

A CONSISTENT SEMIEMPIRICAL THEORY FOR THE CALCULATION OF GROUND AND EXCITED STATE PROPERTIESDINUR U; HONIG B.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 72; NO 3; PP. 1817-1829; BIBL. 33 REF.Article