TY  - BOOK
AU  - Ramachandran,K.I.
AU  - Gopakumar,Deepa
AU  - Namboori,Krishnan
ED  - SpringerLink (Online service)
TI  - Computational Chemistry and Molecular Modeling: Principles and Applications 
SN  - 9783540773047
AV  - QD450-801 
U1  - 541.2 23
PY  - 2008///
CY  - Berlin, Heidelberg
PB  - Springer Berlin Heidelberg
KW  - Chemistry
KW  - Chemoinformatics
KW  - Chemometrics
KW  - Physical chemistry
KW  - Chemistry, Physical and theoretical
KW  - Theoretical and Computational Chemistry
KW  - Computer Applications in Chemistry
KW  - Math. Applications in Chemistry
KW  - Physical Chemistry
N1  - Symmetry and Point Groups -- Quantum Mechanics: A Brief Introduction -- H�ckel 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
N2  - The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides 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
UR  - http://dx.doi.org/10.1007/978-3-540-77304-7
ER  -