Computational chemistry : reviews of current trends. Vol. 5 /

This volume comprises six chapters which explore the development and applications of the methods of computational chemistry. The first chapter is on new developments in coupled-cluster (CC) theory. The homotopy method is used to obtain complete sets of solutions of nonlinear CC equations. The corres...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Leszczynski, Jerzy, 1949-
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Singapore ; London : World Scientific, ©2000.
Colección:Computational Chemistry: Reviews of Current Trends.
Temas:
Chemistry > Data processing.
Chemistry > Computer simulation.
Cheminformatics
Chimio-informatique.
Chimie > Simulation par ordinateur.
SCIENCE > Chemistry > Clinical.
Chemistry > Computer simulation
Chemistry > Data processing
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 1. In search of the relationship between multiple solutions characterizing coupled-cluster theories / Piotr Piecuch and Karol Kowalski
  • 2. Computational time-dependent two-electron theory and long-time propagators / Charles A. Weatherford
  • 3. Self-consistent field theory of weakly bonded systems / Ermanno Gianinetti [and others]
  • 4. Aromatic DNA base stacking and H-bonding / Jiri Sponer, Pavel Hobza and Jerzy Leszczynski
  • 5. Direct ab initio dynamics methodology for modeling kinetics of biological systems / Thanh N. Truong and Dilip K. Maity
  • 6. Molecular structure and vibrational ir spectra of fluoro, chloro and bromosubstituted methanes, silanes and germanes: an ab initio approach / Jozef S. Kwiatkowski and Jerzy Leszczynski.

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