Reviews in computational chemistry. Volume 18 /

This volume, like those prior to it, features chapters by experts in various fields of computational chemistry. Topics covered in Volume 18 include molecular modeling, computer-assisted molecular design (CAMD), quantum chemistry, molecular mechanics and dynamics, and quantitative structure-activity...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Lipkowitz, Kenny B., Boyd, Donald B.
Formato: Electrónico eBook
Idioma:Inglés
Publicado: New York : Wiley-vch, ©2002.
Colección:Reviews in Computational Chemistry.
Temas:
Chemistry > Data processing.
Chemistry > Mathematics.
Cheminformatics
Chimio-informatique.
SCIENCE > Chemistry > Clinical.
Chemistry > Data processing
Chemistry > Mathematics
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Reviews in Computational Chemistry Volume 18; Preface; Epilogue and Dedication; Contents; Contributors; Contributors to Previous Volumes*; Topics Covered in Volumes 1-18*; 1. Clustering Methods and Their Uses in Computational Chemistry; 2. The Use of Scoring Functions in Drug Discovery Applications; 3. Potentials and Algorithms for Incorporating Polarizability in Computer Simulations; 4. New Developments in the Theoretical Description of Charge-Transfer Reactions in Condensed Phases; 5. Linear Free Energy Relationships Using Quantum Mechanical Descriptors.
  • 6. The Development of Computational Chemistry in GermanyAppendix. Examination of the Employment Environment for Computational Chemistry; Author Index; Subject Index.

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