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Results 1 to 25 of 221

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Valence bond theory for chemical reactions: a historical and natural choiceMULDER, J. J. C.Studies in physical and theoretical chemistry. 1990, Vol 64, pp 355-364, issn 0167-6881Article

Constructive enumeration of molecular graphs with prescribed valence statesKVASNICKA, V; POSPICHAL, J.Chemometrics and intelligent laboratory systems. 1991, Vol 11, Num 2, pp 137-147, issn 0169-7439Article

The unsynchronized-resonating-covalent-bond theory of metals, alloys, and intermetallic compounds = La théorie de la liaison covalente résonnante non synchronisée des métaux, alliages et composés intermétalliquesPAULING, L; HERMAN, Z. S.Studies in physical and theoretical chemistry. 1990, Vol 64, pp 569-610, issn 0167-6881Article

The chemical bond and superconductivityMESSMER, R. P.Physica scripta (Print). 1988, Vol 37, Num 4, pp 595-604, issn 0031-8949Conference Paper

The nature of multiple bonds. II: Significance of the perfect-pairing approximationSCHULTZ, P. A; MESSMER, R. P.Journal of the American Chemical Society. 1993, Vol 115, Num 23, pp 10938-10942, issn 0002-7863Article

Thermochemistry of metal catalyzed reactionsBENZIGER, J.Preprints - American Chemical Society. Division of Petroleum Chemistry. 1993, Vol 38, Num 4, pp 883-887, issn 0569-3799Conference Paper

The bond method used to determine the value of the lattice parameter a for α-FeWOKULSKA, K; HÄRTWIG, J; GROSSWIG, S et al.Physica status solidi. A. Applied research. 1990, Vol 121, Num 2, pp 539-545, issn 0031-8965Article

Correlated electron motion in molecules and the concept of overlap dispersionEPIOTIS, N.D.New journal of chemistry (1987). 1988, Vol 12, Num 4, pp 231-245, issn 1144-0546Article

A generalized multistructural wave functionHOLLAUER, E; NASCIMENTO, M. A. C.The Journal of chemical physics. 1993, Vol 99, Num 2, pp 1207-1214, issn 0021-9606Article

Spin correlations of inhomogeneous valence bond solid chainsFREITAG, W.-D; MÜLLER-HARTMANN, E.Zeitschrift für Physik. B, Condensed matter. 1992, Vol 88, Num 3, pp 279-282, issn 0722-3277Article

A valence bond approach to explaining fullerene stabilitiesTAYLOR, R.Tetrahedron letters. 1991, Vol 32, Num 30, pp 3731-3734, issn 0040-4039Article

Role of solvent reorganization energies in the catalytic activity of enzymesYADAV, A; JACKSON, R. M; HOLBROOK, J. J et al.Journal of the American Chemical Society. 1991, Vol 113, Num 13, pp 4800-4805, issn 0002-7863Article

Comment on Valence-bond theory and the evaluation of electronic energy matrix elements between nonorthogonal Slater determinants. ReplyGALLUP, G. A; BALINT-KURTI, G. G.Physical review. A, General physics. 1986, Vol 34, Num 1, pp 671-672, issn 0556-2791Article

On the pentavalent nitrogen atom and nitrogen pentacoordinationHARCOURT, R. D.Journal of molecular structure. 1993, Vol 300, pp 245-256, issn 0022-2860Article

Valence-bond treatment of distortions in polyacene polymersGARCIA-BACH, M. A; PENARANDA, A; KLEIN, D. J et al.Physical review. B, Condensed matter. 1992, Vol 45, Num 19, pp 10891-10901, issn 0163-1829Article

Atom sizes and bond lengths in molecules and crystalsO'KEEFFE, M; BRESE, N. E.Journal of the American Chemical Society. 1991, Vol 113, Num 9, pp 3226-3229, issn 0002-7863, 4 p.Article

Comparison of isoelectronic aluminum-nitrogen and silicon-carbon double bonds using valence bond methodsLYNAM, M. M; INTERRANTE, L. V; PATTERSON, C. H et al.Inorganic chemistry (Print). 1991, Vol 30, Num 8, pp 1918-1922, issn 0020-1669Article

On the enumeration of basis functions for a double chain of S+ ions : a resonating valence bond problemDE BOER, K; MULDER, J. J. C; MAASKANT, W. J. A et al.Journal of molecular structure. Theochem. 1991, Vol 229, pp 15-28, issn 0166-1280, 14 p.Article

A method for calculating bond valences in crystalsO'KEEFFE, M.Acta crystallographica. Section A, Foundations of crystallography. 1990, Vol 46, pp 138-142, issn 0108-7673, 5 p., 2Article

Real efficiency of different strategies for the design of ab initio valence-bond algorithmsRAIMONDI, M; GIANINETTI, E.Journal of physical chemistry (1952). 1988, Vol 92, Num 4, pp 899-903, issn 0022-3654Article

Valence bond analysis of hypervalent sulphur compoundsVOLATRON, F; EISENSTEIN, O.Journal of the Chemical Society. Chemical communications. 1986, Num 4, pp 301-302, issn 0022-4936Article

Proton transfer to charged platinum electrodes. A molecular dynamics trajectory studyWILHELM, Florian; SCHMICKLER, Wolfgang; SPOHR, Eckhard et al.Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 17, issn 0953-8984, 175001.1-175001.13Article

Valence bond studies of the barrier to rotation around the N-N bond of N2O4HARCOURT, R. D.Chemical physics letters. 1994, Vol 218, Num 1-2, pp 175-182, issn 0009-2614Article

Quantitative resonance theory and its relation with MO theory: π-electron transfer in substituted benzenes and some substituted conjugated hydrocarbon ionsYANG PIPENG.Journal of chemical research. Synopses (Print). 1993, Num 9, pp 368-369, issn 0308-2342Article

Electron transfer from resonance valence bond superconductor to reagent in solutionZUSMAN, L. D.Chemical physics letters. 1992, Vol 200, Num 4, pp 379-381, issn 0009-2614Article

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