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A HYPERVIRIAL THEOREM ASPECT OF KOOPMANS' THEOREMISIHARA M.1982; BULL. CHEM. SOC. JPN.; ISSN 0009-2673; JPN; DA. 1982; VOL. 55; NO 5; PP. 1392-1394; BIBL. 9 REF.Article

PSEUDO-EIGENVALUE EQUATION FOR NATURAL ORBITALS OF TWO-ELECTRON SYSTEMS AND LONG RANGE BEHAVIORSILVERSTONE HJ; CARROLL DP; METZGER RM et al.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 70; NO 12; PP. 5919-5921; BIBL. 19 REF.Article

CIRCULANT ORBITALS AND THE ELECTRON-CORRELATION PROBLEMPAUNCZ R; MIN CHO CHEN; PARR RG et al.1982; PROC. NATL. ACAD. SCI. U.S.A., PHYS. SCI.; ISSN 0273-1142; USA; DA. 1982; VOL. 79; NO 2; PP. 705-709; BIBL. 12 REF.Article

SELECTIVE SUMMATION IN GENERALIZED PERTURBED HARTREE-FOCK THEORYMCDOWELL K.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 11; PP. 5427-5440; BIBL. 26 REF.Article

A COMPARATIVE STUDY OF THE CONVERGENCE CHARACTERISTICS OF MODIFIED VIRTUAL ORBITALS WITHIN AN ORBITALLY ORDERED CL- EXPANSIONCOOPER IL; POUNDER CNM.1982; JOURNAL OF CHEMICAL PHYSICS; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 10; PP. 5045-5052; BIBL. 16 REF.Article

DO WALSH-ORBITALS "EXIST".HONEGGER E; HEILBRONNER E; SCHMELZER A et al.1982; NOUV. J. CHIM.; ISSN 0398-9836; FRA; DA. 1982; VOL. 6; NO 11; PP. 519-526; ABS. FRE; BIBL. 27 REF.Article

CIRCULANT ORBITALS FOR ATOMS AND MOLECULESPARR RG; MIN BO CHEN.1981; PROC. NATL. ACAD. SCI. U.S.A., PHYS. SCI.; ISSN 0273-1142; USA; DA. 1981; VOL. 78; NO 3; PP. 1323-1326; BIBL. 6 REF.Article

MOLECULAR ORBITAL THEORY OF SUPERNUCLEOPHILES: COMPLEMENTARY CRITERIA AND SUPPORTING EVIDENCEENGLAND WB; KOVACIC P; HANRAHAN SM et al.1980; J. ORG. CHEM.; USA; DA. 1980; VOL. 45; NO 11; PP. 2057-2063; BIBL. 34 REF.Article

ETUDE DES CORRELATIONS DES ELECTRONS PI DANS LES POLYENES PAIRS EN UTILISANT DES ORBITALES CANONIQUES ET LOCALISEESKUPRIEVICH VA; KLIMENKO VE; SHRAMKO OV et al.1977; TEOR. EKSPER. KHIM., U.S.S.R.; S.S.S.R.; DA. 1977; VOL. 13; NO 6; PP. 723-730; BIBL. 12 REF.Article

LOCALIZED MOLECULAR ORBITAL ENERGIES WITHIN THE CNDO/BW FORMULATIONTSENG TJ; WHITEHEAD MA.1982; JOURNAL OF COMPUTATIONAL CHEMISTRY; ISSN 0192-8651; USA; DA. 1982; VOL. 3; NO 4; PP. 552-555; BIBL. 20 REF.Article

A CDOE/INDO LMO STUDY OF THE NUCLEAR SPIN-SPIN COUPLING CONSTANTS BETWEEN DIRECTLY BONDED C-H AND C-C ATOMSVAN ALSENOY C; FIGEYS HP; GEERLINGS P et al.1980; THEOR. CHIM. ACTA; DEU; DA. 1980; VOL. 55; NO 2; PP. 87-101; BIBL. 86 REF.Article

TIME-DEPENDENT PERTURBATION THEORY IN TRANSANNULAR PI -SYSTEMSBOHM MC.1982; J. MOL. STRUCT.; ISSN 0022-2860; NLD; DA. 1982; VOL. 87; NO 4; PP. 335-343; BIBL. 27 REF.Article

APPLICATION DE LA THEORIE DE PERTURBATION AUX INTERACTIONS LOCALES DANS LES MOLECULES: COUPLAGE SIGMA -PI DANS LES TRANSITIONS PI PI * ET CONSTANTES DE COUPLAGE EN RESONANCE MAGNETIQUE NUCLEAIRE.DENIS A.1976; AO-CNRS-13000; FR.; DA. 1976; PP. (204P.); BIBL. DISSEM.; (THESE DOCT. ES SCI. PHYS.; PIERRE ET MARIE CURIE PARIS 6)Thesis

SEPARATED PAIR APPROXIMATION AND ELECTRON CORRELATION IN LINEAR POLYENESL'HAYA YJ; SUZUKI H; NARITA S et al.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 77; NO 1; PP. 391-395; BIBL. 12 REF.Article

FRAGMENT INTERACTION ANALYSIS IN THE FRAMEWORK OF AB INITIO UHF MO COMPUTATIONS. I: CONFORMATIONAL PREFERENCE IN THE ETHYL RADICALBERNARDI F; BOTTONI A; FOSSEY J et al.1982; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 61; NO 3; PP. 251-263; BIBL. 12 REF.Article

QUADRATICALLY CONVERGENT CALCULATION OF LOCALIZED MOLECULAR ORBITALSLEONARD JM; LUKEN WL.1982; THEORETICA CHIMICA ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 62; NO 2; PP. 107-132; BIBL. 53 REF.Article

MOLECULAR ORBITAL THEORY OF HOMOAROMATIC CHARACTERHADDON RC.1979; J. ORG. CHEM.; USA; DA. 1979; VOL. 44; NO 21; PP. 3608-3616; BIBL. 57 REF.Article

TEMPERED ORBITAL ENERGIES IN SCF MO CALCULATIONS AND THEIR RELATION TO THE ORDINATE IN MULLIKEN-WALSH CORRELATION DIAGRAMS AND EXTENDED HUECKEL ORBITAL ENERGIES.MEHROTRA PK; HOFFMANN R.1978; THEOR. CHIM. ACTA; DEU; DA. 1978; VOL. 48; NO 4; PP. 301-321; BIBL. 2 P.Article

A general multireference configuration interaction gradient programSHEPARD, R; LISCHKA, H; SZALAY, P. G et al.The Journal of chemical physics. 1992, Vol 96, Num 3, pp 2085-2098, issn 0021-9606Article

Calculation of the interaction energy in a localized representation for several diatomic systemsKOZMUTZA, C; TFIRST, E; KAPUY, E et al.Molecular physics (Print). 1993, Vol 80, Num 5, pp 1059-1065, issn 0026-8976Article

An intrinsic localization procedure for active CAS SCF orbitalsMCDOUALL, J. J. W; ROBB, M. A.Chemical physics letters. 1986, Vol 132, Num 3, pp 319-324, issn 0009-2614Article

Density-functional theory with self-interaction correction: application to the lithium moleculePEDERSON, M. R; HEATON, R. A; LIN, C. C et al.The Journal of chemical physics. 1985, Vol 82, Num 6, pp 2688-2699, issn 0021-9606Article

A CONSTANT DENOMINATOR PERTURBATION THEORY FOR MOLECULAR ENERGYCULLEN JM; ZERNER MC.1982; THEOR. CHIM. ACTA; ISSN 0040-5744; DEU; DA. 1982; VOL. 61; NO 3; PP. 203-226; BIBL. 44 REF.Article

LOCALIZED ORBITALS FOR POLYATOMIC MOLECULES. V. THE CLOSO BORON HYDRIDES BNHN2- AND CARBORANES C2BN-2HNDIXON DA; KLEIER DA; HALGREN TA et al.1977; J. AMER. CHEM. SOC.; U.S.A.; DA. 1977; VOL. 99; NO 19; PP. 6226-6237; BIBL. 41 REF.Article

THEORY OF LONE PAIRS. A RELATIONSHIP BETWEEN ORBITAL ENERGY CONTRIBUTIONS AND THE SECOND MOMENTS OF LOCALIZED ORBITALS IN TEN-ELECTRON HYDRIDES.DAUDEL R; KAPUY E; KOZMUTZA C et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 44; NO 2; PP. 197-203; BIBL. 17 REF.Article

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