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Principles and applications of quant...

Gupta, V. P., (1942-)

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Principles and applications of quantum chemistry /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Principles and applications of quantum chemistry // V.P. Gupta.
Author:	Gupta, V. P.,
Description:	1 online resource
Subject:	Quantum chemistry. -
Online resource:	https://www.sciencedirect.com/science/book/9780128034781
ISBN:	9780128035016

Principles and applications of quantum chemistry /
Gupta, V. P.,1942-

Principles and applications of quantum chemistry /V.P. Gupta. - 1 online resource

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.

ISBN: 9780128035016Subjects--Topical Terms:

519235
Quantum chemistry.
Index Terms--Genre/Form:

542853
Electronic books.

LC Class. No.: QD462 / .G87 2016

Dewey Class. No.: 541/.28

Principles and applications of quantum chemistry /
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100 1 $a Gupta, V. P., $d 1942- $e author. $3 3398123
245 1 0 $a Principles and applications of quantum chemistry / $c V.P. Gupta.
264 1 $a London, UK : $b Academic Press is an imprint of Elsevier, $c [2016]
264 4 $c ©2016
300 $a 1 online resource
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520 $a 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.
650 0 $a Quantum chemistry. $3 519235
655 4 $a Electronic books. $2 lcsh $3 542853
856 4 0 $u https://www.sciencedirect.com/science/book/9780128034781