國立高雄大學圖資館 |

Language: English

Back

Principles and applications of quant...

Gupta, V. P., (1942-)

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$q(electronic bk.)

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: 9780128035016$q(electronic bk.)Subjects--Topical Terms:

194339
Quantum chemistry.
Index Terms--Genre/Form:

214472
Electronic books.

LC Class. No.: QD462 / .G87 2016

Dewey Class. No.: 541/.28

Principles and applications of quantum chemistry /
LDR:01902nmm a2200289 i 4500 001 561376
006 m o d
007 cr cnu|unuuu||
008 200213t20162016enk ob 000 0 eng d
020 $a 9780128035016$q(electronic bk.)
020 $a 0128035013$q(electronic bk.)
020 $a 9780128034781
020 $a 0128034785
035 $a (OCoLC)925478442
035 $a els108120112
040 $a N $b eng $e rda $e pn $c N $d N $d IDEBK $d OCLCF $d CDX $d YDXCP $d EBLCP $d OPELS $d CUS $d IDB $d VGM $d OCLCQ $d U3W $d MERUC $d D6H $d OCLCQ $d LQU $d OCLCQ
041 0 $a eng
050 4 $a QD462 $b .G87 2016
082 0 4 $a 541/.28 $2 23
100 1 $a Gupta, V. P., $d 1942- $e author. $3 845472
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
336 $a text $b txt $2 rdacontent
337 $a computer $b c $2 rdamedia
338 $a online resource $b cr $2 rdacarrier
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 194339
655 4 $a Electronic books. $2 local. $3 214472
856 4 0 $u https://www.sciencedirect.com/science/book/9780128034781