InhaltsangabeIntroduction.- Symmetry and Point Groups.- Quantum Mechanics.- Hückel Molecular Orbital Theory.- Hartree Fock Theory.- Basis Sets.- Semi-Empirical Methods.- Ab-initio Methods.- Density Functional Theory.- Reduced Density Matrix.- Molecular Mechanics.- Modeling of Molecules through Computational Methods.- High Performance Computing.- Research in Computational Chemistry and Molecular modeling.- Basic Mathematics for Computational Chemistry.

Introduction.- Symmetry and Point Groups.- Quantum Mechanics.- Hückel Molecular Orbital Theory.- Hartree Fock Theory.- Basis Sets.- Semi-Empirical Methods.- Ab-initio Methods.- Density Functional Theory.- Reduced Density Matrix.- Molecular Mechanics.- Modeling of Molecules through Computational Methods.- High Performance Computing.- Research in Computational Chemistry and Molecular modeling.- Basic Mathematics for Computational Chemistry.