Approximate Molecular Orbital Theory

✍ Scribed by Pople John A., Beveridge David L.

• Tongue: English
• Leaves: 221
• Category: Library

✦ Synopsis

McGraw-Hill Book Company, 1970. – 221 p.

Before John Pople did the work in ab initio quantum chemistry that won him a Nobel Prize, he worked with what are today called semiempirical computational chemistry methods, methods that replace some intensive numerical operations with data derived from experiments. This book covers the early CNDO, INDO, and NDDO semiempirical models along with much background material. Donald Shillady has recommended this text for current students as providing "an exceptionally clear presentation" of the basic Restricted Hartree-Fock algorithm that is the starting point for most modern computational chemistry.

✦ Subjects

Химия и химическая промышленность;Матметоды и моделирование в химии