Introduction to theoretical organic chemistry and molecular modeling
Title:
Introduction to theoretical organic chemistry and molecular modeling
Author:
Smith, William B. (William Burton), 1927-
ISBN:
9780471186434
9781560819370
Personal Author:
Publication Information:
New York : Wiley-VCH Publishers, c1996.
Physical Description:
xii, 192 p. : ill. ; 24 cm.
Contents:
The hydrogen atom and the hydrogen molecule. -- Hückel molecular orbital theory. -- The PMO method. -- Aromaticity, antiaromaticity, and resonance. -- Hückel and FMO theories applied to chemical reactivity. -- Pericyclic reactions, orbital symmetry, and PMO and FMO theories. -- Improvements and extensions of the Hückel theory. -- Molecular modeling - molecular mechanics. -- Molecular modeling - semiempirical methods. -- Molecular modeling - ab initio and density functional methods. -- Appendix: Matrices and determinants.