Reviews in computational chemistry. Volume 13 /

THIS BOOK HAS SIX TUTORIALS AND REVIEWS WRITTEN BY INVITED EXPERTS. FIVE CHAPTERS TEACH TOPICS IN QUANTUM MECHANICS AND MOLECULAR SIMULATIONS. THE SIXTH CHAPTER EXPLAINS HOW PROGRAMS FOR CHEMICAL STRUCTURE DRAWING WORK. AN EDITORIAL DISCUSSES SOME OF THE MOST WELL-KNOWN PERSONAGES IN COMPUTATIONAL C...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Lipkowitz, Kenny B. (Editor ), Boyd, Donald B. (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: New York, N.Y. : Wiley-VCH, ©1999.
Colección:Reviews in Computational Chemistry.
Temas:
Chemistry > Data processing.
Chemistry > Mathematics.
Cheminformatics.
Cheminformatics
Chimio-informatique.
Chemistry > Data processing
Chemistry > Mathematics
Acceso en línea:Texto completo
Tabla de Contenidos:
  • Reviews in Computational Chemistry Volume 13; Contents; Calculations on Open-Shell Molecules: A Beginner's Guide; Basis Set Superposition Errors: Theory and Practice; Quantum Monte Carlo: Atoms, Molecules, Clusters, Liquids, and Solids; Molecular Models of Water: Derivation and Description; Simulation of pH-Dependent Properties of Proteins Using Mesoscopic Models; Structure Diagram Generation; Author Index; Subject Index.

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