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THE UTILIZATION OF ABELIAN POINT GROUP SYMMETRY IN THE GRAPHICAL UNITARY GROUP APPROACH TO THE CALCULATION OF CORRELATED ELECTRONIC WAVEFUNCTIONSSHAVITT I.1979; CHEM. PHYS. LETTERS; NLD; DA. 1979; VOL. 63; NO 3; PP. 421-427; BIBL. 20 REF.Article

A UNITARY GROUP FORMULATION OF OPEN-SHELL ELECTRON PROPAGATOR THEORYBORN G; SHAVITT I.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 1; PP. 558-567; BIBL. 20 REF.Article

QUASIDEGENERATE PERTURBATION THEORIES. A CANONICAL VAN VLECK FORMALISM AND ITS RELATIONSHIP TO OTHER APPROACHESSHAVITT I; REDMON LT.1980; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1980; VOL. 73; NO 11; PP. 5711-5717; BIBL. 60 REF.Article

Geometry and singlet-triplet energy gap in methylene: a critical review of experimental and theoretical determinationsSHAVITT, I.Tetrahedron (Oxford. Print). 1985, Vol 41, Num 8, pp 1531-1542, issn 0040-4020Article

The Aκ and Bκ approximate CI methods comment on a paper by Maynau and HeullySHAVITT, I.Chemical physics letters. 1992, Vol 192, Num 1, pp 135-137, issn 0009-2614Article

COMPARISON OF HIGH-ORDER MANY-BODY PERTURBATION THEORY AND CONFIGURATION INTERACTION FOR H2O.BARTLETT RJ; SHAVITT I.1977; CHEM. PHYS. LETTERS; NETHERL.; DA. 1977; VOL. 50; NO 2; PP. 190-198; BIBL. 26 REF.Article

AB INITIO CONFIGURATION INTERACTION STUDIES OF THE II-ELECTRON STATES OF BENZENE.HAY PJ; SHAVITT I.1974; J. CHEM. PHYS.; U.S.A.; DA. 1974; VOL. 60; NO 7; PP. 2865-2877; BIBL. 1 P. 1/2Article

A LOW-ENERGY PASSAGE FOR C++H2->CH+(1SIGMA +)+HBAUSCHLICHER CW JR; SHAVITT I.1980; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1980; VOL. 75; NO 1; PP. 62-65; BIBL. 18 REF.Article

ACCURATE AB INITIO CALCULATIONS ON THE SINGLET-TRIPLET SEPARATION IN METHYLENE.BAUSCHLICHER CW JR; SHAVITT I.1978; J. AMER. CHEM. SOC.; U.S.A.; DA. 1978; VOL. 100; NO 3; PP. 739-743; BIBL. 31 REF.Article

COMPARISON OF THE CONVERGENCE CHARACTERISTICS OF SOME ITERATIVE WAVE FUNCTION OPTIMIZATION METHODSSHEPARD R; SHAVITT I; SIMONS J et al.1982; J. CHEM. PHYS.; ISSN 0021-9606; USA; DA. 1982; VOL. 76; NO 1; PP. 543-557; BIBL. DISSEM.Article

AB INITIO SCF AND CI STUDIES ON THE GROUND STATE OF THE WATER MOLECULE. II. POTENTIAL ENERGY AND PROPERTY SURFACES.ROSENBERG BJ; ERMLER WC; SHAVITT I et al.1976; J. CHEM. PHYS.; U.S.A.; DA. 1976; VOL. 65; NO 10; PP. 4072-4080; BIBL. 27 REF.Article

SELECTION OF TERMS FOR A CI WAVEFUNCTION TO PRESERVE POTENTIAL SURFACE FEATURES.RAFFENETTI RC; KANG HSU; SHAVITT I et al.1977; THEOR. CHIM. ACTA; ALLEM.; DA. 1977; VOL. 45; NO 1; PP. 33-44; BIBL. 15 REF.Article

THE QUARTIC FORCE FIELD OF H2O DETERMINED BY MANY-BODY METHODS THAT INCLUDE QUADRUPLE EXCITATION EFFECTSBARTLETT RJ; SHAVITT I; PURVIS GD III et al.1979; J. CHEM. PHYS.; USA; DA. 1979; VOL. 71; NO 1; PP. 281-291; BIBL. 45 REF.Article

THE ITERATIVE CALCULATION OF SEVERAL OF THE LOWEST OR HIGHEST EIGENVALUES AND CORRESPONDING EIGENVECTORS OF VERY LARGE SYMMETRIC MATRICESSHAVITT I; BENDER CF; PIPANO A et al.1973; J. COMPUT. PHYS.; U.S.A.; DA. 1973; VOL. 11; NO 1; PP. 90-108; BIBL. 25 REF.Serial Issue

CORRELATION ENERGY IN TRIPLET STATES. COMPARISON OF MANY-BODY PERTURBATION THEORY AND CONFIGURATION INTERCATION FOR CH2 AND O2CARSKY P; SVRCEK M; HUBAC I et al.1982; CHEM. PHYS. LETT.; ISSN 0009-2614; NLD; DA. 1982; VOL. 85; NO 1; PP. 17-20; BIBL. 18 REF.Article

Theoretical study of the di-imide (N2H2) molecule in ground and n→π* excited statesKIM, K; SHAVITT, I; DEL BENE, J. E et al.The Journal of chemical physics. 1992, Vol 96, Num 10, pp 7573-7579, issn 0021-9606Article

Comparison of theoretical methods for the determination of the protonation and deprotonation energies of NH3, H2O, HF, PH3, H2S, HCl, and HCNDEL BENE, J. E; SHAVITT, I.Journal of physical chemistry (1952). 1990, Vol 94, Num 14, pp 5514-5518, issn 0022-3654Conference Paper

AB INITIO STUDY OF THE PI -ELECTRON STATES OF TRANS-BUTADIENE.HOSTENY RP; DUNNING TH JR; GILMAN RR et al.1975; J. CHEM. PHYS.; U.S.A.; DA. 1975; VOL. 62; NO 12; PP. 4764-4779; BIBL. 1 P. 1/2Article

Graphical unitary group approach to spin-spin interactionKENT, R. D; SCHLESINGER, M; SHAVITT, I et al.International journal of quantum chemistry. 1991, Vol 41, Num 1, pp 89-103, issn 0020-7608Article

Multireference configuration interaction treatment of potential energy surfaces: symmetric dissociation of H2O in a double-zeta basisBROWN, F. B; SHAVITT, I; SHEPARD, R et al.Chemical physics letters. 1984, Vol 105, Num 4, pp 363-369, issn 0009-2614Article

Vectorizing a sequence of conditional branches: the calculation of the class index of two-electron repulsion integrals on Cray computersERNENWEIN, R; BENARD, M; SHAVITT, I et al.Computer physics communications. 1988, Vol 48, Num 2, pp 175-180, issn 0010-4655Article

Configuration selection and extrapolation in multireference configuration interaction calculations: the (H2)2 van der Waals complex as a benchmark exampleSHAVITT, I; BROWN, F. B; BURTON, P. G et al.International journal of quantum chemistry. 1987, Vol 31, Num 3, pp 507-520, issn 0020-7608Article

Basis-set effects on computed acid-based interaction energies using the Dunning correlation-consistent polarized split-valence basis setsDEL BENE, J. E; SHAVITT, I.Journal of molecular structure. Theochem. 1994, Vol 307, pp 27-34, issn 0166-1280Article

A theoretical study of the neutral, protonated, and deprotonated trimers of HF and HClDEL BENE, J. E; SHAVITT, I.Journal of molecular structure. Theochem. 1991, Vol 234, pp 499-508, issn 0166-1280Article

Stabilities of hydrocarbons and carbocations. I: A comparison of augmented 6-31G, 6-311G, and correlation consistent basis setsDEL BENE, J. E; AUE, D. H; SHAVITT, I et al.Journal of the American Chemical Society. 1992, Vol 114, Num 5, pp 1631-1640, issn 0002-7863Article

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