Skip to main content

Save up to 20% on Elsevier print and eBooks with free shipping. No promo code needed.

Save up to 20% on print and eBooks.

Principles and Applications of Quantum Chemistry

1st Edition - October 15, 2015

Author: V.P. Gupta

Language: English
Paperback ISBN:
9 7 8 - 0 - 1 2 - 8 0 3 4 7 8 - 1
eBook ISBN:
9 7 8 - 0 - 1 2 - 8 0 3 5 0 1 - 6

Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed… Read more

Principles and Applications of Quantum Chemistry

Purchase options

LIMITED OFFER

Save 50% on book bundles

Immediately download your ebook while waiting for your print delivery. No promo code is needed.

Institutional subscription on ScienceDirect

Request a sales quote
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules.