Annual reports in computational chemistry Vol. 5 /

Annual Reports in Computational Chemistry is a new periodical providing timely and critical reviews of important topics in computational chemistry as applied to all chemical disciplines. Topics covered include quantum chemistry, molecular mechanics, force fields, chemical education, and applications...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Otros Autores: Wheeler, Ralph A., Spellmeyer, David Charles, 1961-
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam ; London : Elsevier Science, 2009.
Temas:
Chemistry > Data processing.
Chemistry > Computer simulation.
Cheminformatics
Chimio-informatique.
Chimie > Simulation par ordinateur.
SCIENCE > Chemistry > Clinical.
Chemistry > Computer simulation
Chemistry > Data processing
Acceso en línea:Texto completo
Tabla de Contenidos:
  • 1. Free energies of lipid - lipid interactions in membranes
  • W.F. Drew Bennett* and D. Peter Tieleman 2. Quantifying uncertainty and sampling quality in biomolecular simulations
  • Alan Grossfield and Daniel M. Zuckerman 3. Methods for Monte Carlo simulations of biomacromolecules
  • Andreas Vitalis*, and Rohit V. Pappu 4. Accelerated Molecular Dynamics Methods: Introduction and Recent Developments -D. Perez, B. P. Uberuaga, Y. Shim, J. G. Amar and A. F. Voter 5. Recent Advances on in silico ADME Modeling -Junmei Wang and Tingjun Hou 6. Explicitly correlated coupled-cluster methods
  • Toru Shiozaki Edward F. Valeev and So Hirata 7. The Density Matrix Renormalization Group in Quantum Chemistry Garnet Kin-Lic Chan and Dominika Zgid 8. Electron Transfer in Gaseous Positively Charged Peptides
  • Relation to Mass Spectrometry
  • Jack Simons

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