Molecular modelling: Principles and applications / Andrew R. Leach

Public ISBD Titre : Molecular modelling: Principles and applications Type de document : texte imprimé Auteurs : Andrew R. Leach Mention d'édition : Second edition Editeur : Harlow : Prentice Hall Année de publication : 2001 Importance : xxiv, 744 p. ISBN/ISSN/EAN : 978-0-582-38210-7 Langues : Anglais (eng) Tags : MOLECULAR STRUCTURE-Computer simulation  MOLECULES-Models  COMPUTER SIMULATION Index. décimale : EQ -Equipe- Résumé : "A broad and practical introduction to the major techniques employed in molecular modelling and computational chemistry. Split into two parts, the first covers the two major methods used to describe the interactions within a system - quantum mechanics and molecular mechanics. The second deals with the techniques that use such energy models, including minimisation, molecular dynamics, Monte Carlo simulations and conformational analysis. Molecular Modelling also discusses the use of more advanced methods, such as the calculation of free energies, simulation of chemical reactions and the use of database searching to design new molecules." Cote : LCC/P Num_Inv : 2637 Molecular modelling: Principles and applications [texte imprimé] / Andrew R. Leach  . -  Second edition . - Harlow : Prentice Hall, 2001 . - xxiv, 744 p. ISBN : 978-0-582-38210-7 Langues : Anglais (eng) Tags : MOLECULAR STRUCTURE-Computer simulation  MOLECULES-Models  COMPUTER SIMULATION Index. décimale : EQ -Equipe- Résumé : "A broad and practical introduction to the major techniques employed in molecular modelling and computational chemistry. Split into two parts, the first covers the two major methods used to describe the interactions within a system - quantum mechanics and molecular mechanics. The second deals with the techniques that use such energy models, including minimisation, molecular dynamics, Monte Carlo simulations and conformational analysis. Molecular Modelling also discusses the use of more advanced methods, such as the calculation of free energies, simulation of chemical reactions and the use of database searching to design new molecules." Cote : LCC/P Num_Inv : 2637

Exemplaires(2)

Code-barres	Cote	Support	Localisation	Section	Disponibilité
2637	LCC/P	Texte imprimé	Equipe	Livre	Equipe - Demande préalable Disponible
2718	LCC/RX	Texte imprimé	Equipe	Livre	Equipe - Demande préalable Disponible

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