Computational chemistry : reviews of current trends. Vol. 3 /

A presentation of developments in the methodologies and applications of computational chemistry methods. The topics covered include fundamentals and applications of multireference Brillouin-Wigner coupled-cluster theory, and quantum-chemical modelling ofthe interaction of solute and solvent.

Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Leszczynski, Jerzy, 1949-
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Singapore : World Scientific, ©1999.
Temas:
Chemistry > Data processing.
Chemistry > Computer simulation.
Chemistry > Mathematics.
Cheminformatics.
Chimio-informatique.
Chimie > Simulation par ordinateur.
SCIENCE > Chemistry > Clinical.
Cheminformatics
Chemistry > Computer simulation
Chemistry > Data processing
Chemistry > Mathematics
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 1. Multireference Brillouin-Wigner coupled-cluster theory / Ivan Hubac, Jozef Masik, Pavel Mach, Jan Urban and Peter Babinec
  • 2. Model core potentials: theory and applications / Mariusz Klobukowski, Sigeru Huzinaga and Yoshiko Sakai
  • 3. Stratospheric bromine chemistry: insights from computational studies / Sujata Guha and Joseph S. Francisco
  • 4. Bonding in gas-phase sulfur radicals / David C. Young and Michael L. McKee
  • 5. Chemistry of the liquid state: current trends in quantum-chemical modeling / Leonid Gorb and Jerzy Leszczynski
  • 6. Chemistry and the internet / Ken Flurchick, Margaret Hurley, Jan. K. Labanowski, Gerald H. Lushington and Theresa L. Windus.

Ejemplares similares