Introduction to Computational Chemistry (eBook)

Frank Jensen (Autor)

eBook Download: PDF

2016 | 3. Auflage
John Wiley & Sons (Verlag)
978-1-118-82598-3 (ISBN)

Infos

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics: Polarizable force fields Tight-binding DFT More extensive DFT functionals, excited states and time dependent molecular properties Accelerated Molecular Dynamics methods Tensor decomposition methods Cluster analysis Reduced scaling and reduced prefactor methods Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

Autor

Professor Frank Jensen, Department of Chemistry, Aarhus University, Denmark Frank Jensen obtained his Ph.D. from UCLA in 1987 with Professors C. S. Foote and K. N. Houk, and is currently an Associate Professor in the Department of Chemistry, Aarhus University, Denmark. He has published over 120 papers and articles, and has been a member of the editorial boards of Advances in Quantum Chemistry (2005 - 2011) and the International Journal of Quantum Chemistry (2006-2011).

Produkt-Details

• Erscheint lt. Verlag: 28.11.2016
• Sprache: englisch
• Themenwelt: Naturwissenschaften ► Chemie ► Physikalische Chemie
• Themenwelt: Technik
• Schlagworte: Accelerated Molecular Dynamic methods • Chemie • Chemistry • Computational Chemistry • Computational Chemistry & Molecular Modeling • Computational Chemistry u. Molecular Modeling • computational methods • Custer Analysis • density functional theory • Electron Correlation • electronic structure methods • Force Fields • Hartree-Fock • Mathematical & Computational Physics • Mathematische Physik • Molecular Properties • Optimization • Physics • Physik • Quantenchemie • Quantum Chemistry • quantum mechanics • Simulations • Tensor Decomposition Methods
• ISBN-10: 1-118-82598-5 / 1118825985
• ISBN-13: 978-1-118-82598-3 / 9781118825983