'Lcao approximation' presentation slideshows

CHPC GAMESS-UK Workshop

2.68k views • 249 slides

Chemistry 6440 / 7440

Chemistry 6440 / 7440. Introduction to Molecular Orbitals. Resources. Grant and Richards, Chapter 2 Foresman and Frisch, Exploring Chemistry with Electronic Structure Methods (Gaussian Inc., 1996) Cramer, Chapter 4 Jensen, Chapter 3 Leach, Chapter 2

530 views • 30 slides

GAMESS-UK Workshop An Introduction to the Fundamentals of Quantum Chemistry

629 views • 30 slides

BONDING

BONDING. Two main ways of thinking about bonding:. 1. Valence Bond Theory. -all bonds are localized interactions involving 2 electrons and 2 nuclei -leads to orbital hybridization as a method to manipulate the AOs. -no resonance, no delocalization. 2. Molecular Orbital (MO) Theory.

293 views • 2 slides