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Results 1 to 25 of 14881

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OPTIMUM HYDRID ORBITALS IN LOCALIZED ORBITALS. II. DEGENERATE CASEPOLAK R.1972; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1972; VOL. 6; NO 6; PP. 1077-1086; ABS. FR. ALLEM.; BIBL. 15 REF.Serial Issue

ON THE NUMBER OF ANTIBONDING MO'S IN CONJUGATED HYDROCARBONS.GUTMAN I.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 26; NO 1; PP. 85-88; BIBL. 12 REF.Article

SEMIEMPIRICAL MOLECULAR ORBITAL CALCULATIONS FOR SATURATED ORGANIC COMPOUNDSHERNDON WC.1972; PROGR. PHYS. ORG. CHEM.; U.S.A.; DA. 1972; VOL. 9; PP. 99-177; BIBL. 8 P. 1/2Serial Issue

COMPUTER GENERATION OF CUBIC MOLECULAR SYMMETRY ORBITALSAVDEEF A; FACKLER JP JR.1973; INORG. CHEM.; U.S.A.; DA. 1973; VOL. 12; NO 3; PP. 713-716; BIBL. 8 REF.Serial Issue

INTEGRAL APPROXIMATIONS ON THE BASIS OF SEMIORTHOGONALIZED ORBITALS.KASHIWAGI H.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 1; PP. 135-141; ABS. FR. ALLEM.; BIBL. 7 REF.Article

FLOATING GAUSSIANS. AN UNUSUAL PROPERTY.BLUSTIN PH.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 35; NO 1; PP. 1-5; BIBL. 16 REF.Article

THEORETICAL EQUATIONS FOR PHOTOIONIZATION CROSS SECTIONS OF POLYATOMIC MOLECULES IN PLANE-WAVE AND ORTHOGONALIZED PLANE-WAVE APPROXIMATIONS.ELLISON FO.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 61; NO 2; PP. 507-515; BIBL. 20 REF.Article

EQUIVALENT SPHERICAL HARMONICS.SCHMELZER A.1977; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1977; VOL. 11; NO 4; PP. 561-576; ABS. FR. ALLEM.; BIBL. 16 REF.Article

AN ALGORITHM FOR THE ENUMERATION OF BONDING AND ANTIBONDING MO'S IN CONJUGATED HYDROCARBONS.GUTMAN I.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 37; NO 3; PP. 475-477; BIBL. 4 REF.Article

COEFFICIENTS FOR EXPRESSING THE NONRELATIVISTIC ENERGY OF THE CONFIGURATION DND WITH NONORTHOGONAL RADIAL ORBITALS.SABAS KV; VIZBARAITE JJ; JUCYS AP et al.1975; ATOM. DATA NUCL. DATA TABLES; U.S.A.; DA. 1975; VOL. 16; NO 2; PP. 179-200; BIBL. 10 REF.Article

DERIVATION OF A TOTAL CHARGE AND DIPOLE MOMENT-PRESERVING POPULATION ANALYSIS FOR FSGO WAVEFUNCTIONS.SHIPMAN LL.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 31; NO 2; PP. 361-363; BIBL. 8 REF.Article

ORTHOGONALIZED SLATER ORBITALS FORMED WITH ATOMIC SCREENING CONSTANTS.SHIBUYA M; KOZIMA H.1975; J. PHYS. SOC. JAP.; JAP.; DA. 1975; VOL. 39; NO 4; PP. 1053-1058; BIBL. 12 REF.Article

ON POPULATION ANALYSIS IN TERMS OF ATOMIC AND SYMMETRY ORBITALS.GOLEBIEWSKI A; RZESZOWSKA E.1974; ACTA PHYS. POLON., A; POLOGNE; DA. 1974; VOL. 45; NO 4; PP. 563-568; BIBL. 8 REF.Article

LOCALIZED ORBITAL SCF AND CI STUDIES OF GROUND ELECTRONIC STATESWILHITE DL; WHITTEN JL.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 3; PP. 948-955; BIBL. 24 REF.Serial Issue

PROJECTED HARTREE PRODUCT WAVEFUNCTIONS. VI. NATURAL ORBITAL CI EXPANSIONS IN NONSINGLET CASESKOLLER RD; GALLUP GA.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 5; PP. 2181-2189; BIBL. 11 REF.Serial Issue

BOND ENERGIES IN MO-LCAO TREATMENTS OF SATURATED MOLECULESDEL RE G.1972; GAZZ. CHIM. ITAL.; ITAL.; DA. 1972; VOL. 102; NO 10; PP. 929-940; ABS. ITAL.; BIBL. 17 REF.Serial Issue

NON-ORTHOGONAL ATOMIC ORBITALS: KINETIC ENERGY.CUSACHS LC.1975; CHEM. PHYS. LETTERS; NETHERL.; DA. 1975; VOL. 34; NO 3; PP. 482-484; BIBL. 7 REF.Article

TWO-CENTRE OVERLAP INTEGRALS INVOLVING MIXED SLATER-GAUSSIAN ORBITALS.LO BWN; CABLE RJR; CARLSEN NR et al.1974; CHEM. PHYS. LETTERS; NETHERL.; DA. 1974; VOL. 26; NO 2; PP. 252-255; BIBL. 9 REF.Article

LOCAL ORBITALS FOR BONDING IN ETHANENELSON JL; FROST AA.1973; THEOR. CHIM. ACTA; ALLEM.; DA. 1973; VOL. 29; NO 1; PP. 75-83; ABS. ALLEM. FR.; BIBL. 23 REF.Serial Issue

NATURAL SPIN ORBITALS AND GEMINALS FOR THE LITHIUM 2S GROUND STATELARSSON S; SMITH VH JR.1972; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1972; VOL. 6; NO 6; PP. 1019-1043; ABS. FR. ALLEM.; BIBL. 1 P. 1/2Serial Issue

COMPARATIVE STUDY OF UNCONVENTIONAL 1S BASIS FUNCTIONS FOR THE 1SIGMA +G GROUND STATE OF H2 AND HE2++.LECLERC JC.1976; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1976; VOL. 10; NO 3; PP. 439-454; ABS. FR. ALLEM.; BIBL. 1 P. 1/2Article

SKYLAB: LE TRAIT D'UNION ENTRE APOLLO ET NAVETTE SPATIALEGEGERLE J.1973; INTERAVIA; SUISSE; DA. 1973; VOL. 28; NO 4; PP. 317-321Serial Issue

NATURALS ORBITALSDAVIDSON ER.1972; ADV. QUANTUM CHEM.; U.S.A.; DA. 1972; VOL. 6; PP. 235-266; BIBL. 2 P. 1/2Serial Issue

EXTENSION OF GAUSSIAN 70 TO ANY NUMBER OF ATOMIC ORBITALS. = EXTENSION DE GAUSSIEN 70 A TOUT NOMBRE D'ORBITALES ATOMIQUESCARLSON GL; PEDERSEN LG.1975; J. COMPUT. PHYS.; U.S.A.; DA. 1975; VOL. 17; NO 4; PP. 415-419; BIBL. 4 REF.Article

LOEWDIN ORTHOGONALIZATION AS A MINIMUM ENERGY PERTURBATION.AIKEN JG; JONASSEN HB; ALDRICH HS et al.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 62; NO 7; PP. 2745-2746; BIBL. 7 REF.Article

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