Computational Chemistry Reviews Of Current Trends Vol 2 is popular PDF and ePub book, written by Misako Aida in 1997-05-01, it is a fantastic choice for those who relish reading online the Science genre. Let's immerse ourselves in this engaging Science book by exploring the summary and details provided below. Remember, Computational Chemistry Reviews Of Current Trends Vol 2 can be Read Online from any device for your convenience.
Computational Chemistry Reviews Of Current Trends Vol 2 Book PDF Summary
The contributions collected in this volume complement volume 1 of this series, disclosing results of current developments in methodologies and applications of computational chemistry methods. The covered topics include fundamentals and applications of propagator calculations, as well as recent developments in the computationally efficient and accurate SAC-CI method, which allows calculation of various electronic states at the same time. SAC-CI studies of excited states of large molecular systems like porphyrins are reviewed, and its application to investigations of surface phenomena is discussed. The book also features a review of recent work on quantum Monte Carlo simulations.Furthermore, the book discusses the application of computational methods to biomolecules and, in particular, the application of the DFT methods to prediction of molecular structures and the IR spectrum of the DNA bases, as well as currently developed force field parameters and their application in molecular dynamics calculations of biologically important molecules. Lastly, there is a review of a quantum chemistry course which prepares students at the Department of Chemistry of ETH Zurich to perform their own ab initio studies.
Detail Book of Computational Chemistry Reviews Of Current Trends Vol 2 PDF
- Author : Misako Aida
- Release : 01 May 1997
- Publisher : World Scientific
- ISBN : 9789814498296
- Genre : Science
- Total Page : 304 pages
- Language : English
- PDF File Size : 10,8 Mb
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