Reviews in computational chemistry . Volume 18 / / edited by Kenny B. Lipkowitz and Donald B. Boyd

• Record Nr.: UNINA9910809443303321
• Pubbl/distr/stampa: New York, N.Y., : Wile-VCH, c2002
• ISBN: 9786610366828; 9781280366826; 1280366826; 9780470349403; 0470349409; 9780471461425; 0471461423; 9780471433514; 0471433519
• Edizione: [1st ed.]
• Descrizione fisica: 1 online resource (384 p.)
• Collana: Reviews in computational chemistry ; ; v. 18
• Altri autori (Persone): BoydDonald B; LipkowitzKenny B
• Disciplina: 542.85; 542/.8
• Soggetti: Chemistry - Data processing; Chemistry - Mathematics
• Lingua di pubblicazione: Inglese
• Formato: Materiale a stampa
• Livello bibliografico: Monografia
• Note generali: Description based upon print version of record.
• Nota di bibliografia: Includes bibliographical references and index.
• Nota di contenuto: 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
• Sommario/riassunto: 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 relationships (qsar).