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1.

図書

図書
Brian Capon and Samuel P. McManus
出版情報: New York : Plenum Press, c1976-  v. ; 24 cm
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2.

図書

図書
edited by Alejandro Toro-Labbé
出版情報: Amsterdam : Elsevier, 2007  viii, 321 p. ; 25 cm
シリーズ名: Theoretical and computational chemistry ; 19
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目次情報: 続きを見る
Chemical Reactivity and the Shape Function / Chapter 1:
Density Functional Theory Models of Reactivity Based on an Energetic Criterion / Chapter 2:
The Breakdown of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations / Chapter 3:
Classification of Control Space Parameters for Topological Studies of Reactivity and Chemical Reactions / Chapter 4:
Understanding and Using the Electron Localization Function (ELF) / Chapter 5:
Electronic Structure and Reactivity in Double of Rydberg Anions: Characterization of a Novel Kind of Electron Pair / Chapter 6:
Using the Reactivity-Selectivity Descriptor Dgr;f(r)in Organic Chemistry / Chapter 7:
The Average Local Ionization Energy: Concepts and Applications / Chapter 8:
The Electrophilicity Index in Organic Chemistry / Chapter 9:
Electronic Structure and Reactivity of Aromatic Metal Clusters / Chapter 10:
Small Gold Clusters Form Nonconventional Hydrogen Bonds X-H-Au: Gold-Water Clusters as Example / Chapter 11:
Theoretical Design of Electronically Stabilized Molecules Containing Planar Tetracoordinate Carbons / Chapter 12:
Chemical Reactivity Dynamics in Ground and Excited Electronic States / Chapter 13:
Quantum Chemical Topology and Reactivity: A Comparative Static and Dynamic Study on a S N 2 Reaction / Chapter 14:
1,4-Dihydropyridine Calcium Channel Blockers with Electronic Descriptors Produced by Quantum Chemical Topology / Chapter 15:
Chemical Reactivity and the Shape Function / Chapter 1:
Density Functional Theory Models of Reactivity Based on an Energetic Criterion / Chapter 2:
The Breakdown of the Maximum Hardness and Minimum Polarizability Principles for Nontotally Symmetric Vibrations / Chapter 3:
3.

図書

図書
Fischer, Hanns ; Labarre, Jean-François ; Crasnier, François
出版情報: Berlin ; New York : Springer-Verlag, 1971  54 p. ; 24 cm
シリーズ名: Fortschritte der chemischen Forschung ; 24
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目次情報:
Chemically induced dynamic nuclear polarization, by H. Fischer
Critique of the motion of aromaticity, by J.-F. Labarre and F. Crasnier
Chemically induced dynamic nuclear polarization, by H. Fischer
Critique of the motion of aromaticity, by J.-F. Labarre and F. Crasnier
4.

図書

図書
V. V. Boldyrev, M. Bulens, and B. Delmon
出版情報: Amsterdam ; Tokyo : Elsevier Scientific , New York : Distributors for the United States and Canada, Elsevier/North-Holland, 1979  viii, 226 p. ; 25 cm
シリーズ名: Studies in surface science and catalysis ; 2
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5.

図書

図書
edited by Paul S. Braterman
出版情報: New York : Plenum Press, c1986-c1989  2 v. ; 26 cm
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6.

図書

図書
edited by Orlando Tapia and Juan Bertrán
出版情報: Boston : Kluwer Academic Publishers, 1996  x, 377 p. ; 25 cm
シリーズ名: Understanding chemical reactivity ; v. 17
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目次情報: 続きを見る
Preface
Continuum Solvation Models / C.J. Cramer ; D.G. Truhlar
Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory / R. Contreras, et al.
Monte Carlo Simulations of Chemical Reactions in Solution / A. Gonzalez-Lafont, et al.
Computer Simulation for Chemical Systems: From Vacuum to Solution / G. Corongiu, et al.
Crossing the Transition State in Solution / J.T. Hynes
Valence Bond Multistate Approach to Chemical Reactions in Solution / R. Bianco
Quantum Theory of Solvent Effects and Chemical Reactions / O. Tapia, et al.
Index
Preface
Continuum Solvation Models / C.J. Cramer ; D.G. Truhlar
Theoretical Basis for the Treatment of Solvent Effects in the Context of Density Functional Theory / R. Contreras, et al.
7.

図書

図書
edited by Ramon Carbó
出版情報: Dordrecht ; Boston : Kluwer Academic, c1995  vii, 321 p. ; 25 cm
シリーズ名: Understanding chemical reactivity ; v. 14
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8.

図書

図書
edited by John Wood ... [et al.]
出版情報: New York ; London : Plenum Press, 1977  xx,810p ; 26cm
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9.

図書

図書
edited by N.B. Hannay
出版情報: New York : Plenum Press, c1976  xvii, 721 p. ; 26 cm
シリーズ名: Treatise on solid state chemistry ; v. 4
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10.

図書

図書
edited by Gilles Klopman
出版情報: New York : Wiley, c1974  369 p. ; 23 cm
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