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Results 1 to 25 of 22234

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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

GENERALIZED METHOD FOR CALCULATING LOEWDIN ORBITALSSUZUKI K; MARUYAMA S; ARAKI K et al.1973; BULL. CHEM. SOC. JAP.; JAP.; DA. 1973; VOL. 46; NO 2; PP. 355-358; BIBL. 4 REF.Serial Issue

A PROJECTION OPERATOR METHOD FOR ORBITAL BASIS VARIATIONBEEBE NHF.1972; INTERNATION. J. QUANTUM CHEM.; U.S.A.; DA. 1972; VOL. 6; NO 6; PP. 1149-1155; ABS. FR. ALLEM.; BIBL. 19 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

LIMITS ON THE LOCALIZED INTERPRETATION OF MOLECULAR ORBITAL WAVEFUNCTIONS.DAUDEL R; STEPHENS ME; KAPUY E et al.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 40; NO 2; PP. 194-198; BIBL. 31 REF.Article

ON THE USE OF LOCALIZED ORBITALS FOR DETERMINATION OF CONTRACTED GAUSSIAN BASIS SETS IN AB INITIO MOLECULAR CALCULATIONS.URBAN M; POLAK R.1974; COLLECT. CZECHOSL. CHEM. COMMUNIC.; CZECHOSL.; DA. 1974; VOL. 39; NO 9; PP. 2567-2575; BIBL. 19 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

L'EQUIVALENCE DES ORBITALES RADIALES ORTHOGONALES ET NON ORTHOGONALESCHIPLIS IV; LAZAUSKAS VM.1976; LITOV. FIZ. SBOR.; S.S.S.R.; DA. 1976; VOL. 16; NO 3; PP. 371-379; ABS. LITU. ANGL.; BIBL. 9 REF.Article

ON APPLICATION OF MIXED BASES TO QUANTUM-CHEMICAL CALCULATIONS OF MOLECULES.BUGAETS OP; ZHOGOLEV DA.1976; CHEM. PHYS. LETTERS; NETHERL.; DA. 1976; VOL. 39; NO 1; PP. 45-48; BIBL. 20 REF.Article

NON-HERMITIAN REPRESENTATIONS IN LOCALIZED ORBITAL THEORIESWEEKS JD; ANDERSON PW; DAVIDSON AGH et al.1973; J. CHEM. PHYS.; U.S.A.; DA. 1973; VOL. 58; NO 4; PP. 1388-1395; BIBL. 18 REF.Serial Issue

A DERIVATION OF GENERAL OPEN-SHELL SCF EQUATIONS FOR ATOMS AND MOLECULES WITH A GREEN FUNCTION METHODALBAT R; GRUEN N.1973; J. PHYS. B; G.B.; DA. 1973; VOL. 6; NO 4; PP. 601-613; BIBL. 16 REF.Serial Issue

USE OF LOCALIZED ORBITALS TO CIRCUMVENT CONVERGENCE DIFFICULTIES IN LCAO-MO-SCF CALCULATIONSLETCHER JH; ABSAR I; VAN WAZER JR et al.1972; INTERNATION. J. QUANTUM CHEM., SYMP.; U.S.A.; DA. 1972; NO 6; PP. 451-452; BIBL. 9 REF.Serial Issue

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