Product Information
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It is the first textbook to provide in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http: //www.amrita.edu/cen/ccmm) support the students and lecturers.Product Identifiers
PublisherSpringer Berlin / Heidelberg
ISBN-103540773029
ISBN-139783540773023
eBay Product ID (ePID)65986937
Product Key Features
Number of PagesXxii, 398 Pages
LanguageEnglish
Publication NameComputational Chemistry and Molecular Modeling : Principles and Applications
Publication Year2008
SubjectChemistry / Physical & Theoretical, Chemistry / Computational & Molecular Modeling, Physics / Atomic & Molecular
TypeTextbook
Subject AreaScience
AuthorK. I. Ramachandran, Krishnan Namboori, G. Deepa
Dimensions
Item Weight30.7 Oz
Item Length9.3 in
Additional Product Features
Intended AudienceScholarly & Professional
Dewey Edition22
ReviewsFrom the reviews:"K.I. Ramachandran et al have written a good textbook, with the best introductory section I have seen. The text starts with a few explanations and definitions of key concepts that gently ease the reader into the subject. … The book tries to bridge the gap between general overviews of the subject area and specialist documents, and generally does this well. … Who is it for? Advanced undergraduates or first-year postgraduates. … Would you recommend it? Yes." (Chris Rigby, Times Higher Education, November, 2008), From the reviews: "K.I. Ramachandran et al have written a good textbook, with the best introductory section I have seen. The text starts with a few explanations and definitions of key concepts that gently ease the reader into the subject. ... The book tries to bridge the gap between general overviews of the subject area and specialist documents, and generally does this well. ... Who is it for? Advanced undergraduates or first-year postgraduates. ... Would you recommend it? Yes." (Chris Rigby, Times Higher Education, November, 2008)
Number of Volumes1 Vol.
IllustratedYes
Dewey Decimal541.0285
Lc Classification NumberQd450-801
Table of ContentSymmetry and Point Groups.- Quantum Mechanics: A Brief Introduction.- Hückel Molecular Orbital Theory.- Hartree-Fock Theory.- Basis Sets.- Semiempirical Methods.- The Ab Initio Method.- Density Functional Theory.- Reduced Density Matrix.- Molecular Mechanics.- The Modeling of Molecules Through Computational Methods.- High Performance Computing.- Research in Computational Chemistry and Molecular Modeling.- Basic Mathematics for Computational Chemistry.