TY  - BOOK
AU  - Ramachandran,K.I.
AU  - Namboori, K.
AU  - Deepa, G.
TI  - Computational chemistry and molecular modeling:  principles and applications
SN  - 9783540773023 (hbk. : alk. paper)
U1  - 541.22  
PY  - 2008///
CY  - Berlin
PB  - Springer
KW  - Chemistry, Physical and theoretical
KW  - Data processing
KW  - Molecules
KW  - Models
KW  - Computer simulation
N1  - "An exclusive URL (http://www.amrita.edu/cen/ccmm/) for this book with the required support materials has been provided for readers ..."--Preface; Includes bibliographical references and index; 1; Introduction --; 2; Symmetry and Point Groups --; 3; Quantum Mechanics: A Brief Introduction --; 4; Huckel Molecular Orbital Theory --; 5; Hartree-Fock Theory --; 6; Basis Sets --; 7; Semiempirical Methods --; 8; Ab Initio Method --; 9; Density Functional Theory --; 10; Reduced Density Matrix --; 11; Molecular Mechanics --; 12; Modeling of Molecules Through Computational Methods --; 13; High Performance Computing --; 14; Research in Computational Chemistry and Molecular Modeling --; 15; Basic Mathematics for Computational Chemistry --; A; Operators --; B; Huckel MO Heteroatom Parameters --; C; Using Microsoft Excel to Balance Chemical Equations --; D; Simultaneous Spectrophotometric Analysis --; E; Bond Enthalpy of Hydrocarbons --; F; Graphing Chemical Analysis Data --; G; Titration Data Plotting --; H; Curve Fitting in Chemistry --; I; Solvation of Potassium Fluoride --; J; Partial Molal Volume of ZnCl[subscript 2]
ER  -