東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

A matter of density = exploring the ...

Sukumar, N., (1957-)

Linked to FindBook

Google Book

Amazon

博客來

A matter of density = exploring the electron density concept in the chemical, biological, and materials sciences /

Record Type:	Electronic resources : Monograph/item
Title/Author:	A matter of density/ edited by N. Sukumar.
Reminder of title:	exploring the electron density concept in the chemical, biological, and materials sciences /
other author:	Sukumar, N.,
Published:	Hoboken, N.J. :John Wiley, : 2013.,
Description:	1 online resource (318 p.)
[NT 15003449]:	Introduction of Probability Concepts in Physics -- Does God Play Dice? -- The Electron Density -- Atoms in Molecules -- Density Functional Approach to the Electronic Structure of Matter -- Density-Functional Approximations for Exchange and Correlation -- An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach -- Electron Density and Molecular Similarity -- Electrostatic Potentials and Local Ionization Energies in Nanomaterial Applications -- Probing Electron Dynamics with the Laplacian of the Momentum Density -- Applications of Modern Density Functional Theory to Surfaces and Interfaces.
Subject:	Electron distribution. -
Online resource:	http://onlinelibrary.wiley.com/book/10.1002/9781118431740
ISBN:	9781118431740 (electronic bk.)

A matter of density = exploring the electron density concept in the chemical, biological, and materials sciences /
A matter of densityexploring the electron density concept in the chemical, biological, and materials sciences /[electronic resource] :edited by N. Sukumar. - Hoboken, N.J. :John Wiley,2013. - 1 online resource (318 p.)

Includes bibliographical references and index.

Introduction of Probability Concepts in Physics -- Does God Play Dice? -- The Electron Density -- Atoms in Molecules -- Density Functional Approach to the Electronic Structure of Matter -- Density-Functional Approximations for Exchange and Correlation -- An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach -- Electron Density and Molecular Similarity -- Electrostatic Potentials and Local Ionization Energies in Nanomaterial Applications -- Probing Electron Dynamics with the Laplacian of the Momentum Density -- Applications of Modern Density Functional Theory to Surfaces and Interfaces.

"Electron density is one of the fundamental concepts underpinning modern chemistry, and this book presents a conceptual treatment of the subject with equal emphasis on computational and philosophical questions. Beginning with the use of probabilities in statistical physics and the origins of quantum mechanics, the conceptual and statistical framework developed is employed to treat quantum entanglement, Bader's theory of atoms in molecules, open systems, and the theory of insulators. Employing a coherent and logical structure, the book is accessible to students and faculty working in chemistry and computational materials science"--

ISBN: 9781118431740 (electronic bk.)

LCCN: 2012033608Subjects--Topical Terms:

1567533
Electron distribution.

LC Class. No.: QC793.5.E626 / M38 2013

Dewey Class. No.: 539.7/2112

A matter of density = exploring the electron density concept in the chemical, biological, and materials sciences /
LDR:02978cmm a2200409 i 4500 001 2002665
003 OCoLC
005 20130505100447.0
006 m o d
007 cr |||||||||||
008 151223s2013 nju ob 001 0 eng
010 $a 2012033608
020 $a 9781118431740 (electronic bk.)
020 $a 111843174X (electronic bk.)
020 $a 9781118431719 (electronic bk.)
020 $a 1118431715 (electronic bk.)
020 $z 9781118431726
020 $z 1118431723
020 $z 9781118431733
020 $z 1118431731
020 $z 9780470769003 (hardback)
020 $a 0470769009 (hardback)
020 $a 9780470769003 (hardback)
020 $a 9781283608787 (MyiLibrary)
020 $a 1283608782 (MyiLibrary)
035 $a 005417380
040 $a DLC $b eng $c DLC $d YDX $d OCLCO $d N $d DG1 $d UMR $d YDXCP $d DG1 $d COO $d E7B
050 1 0 $a QC793.5.E626 $b M38 2013
082 0 0 $a 539.7/2112 $2 23
245 0 2 $a A matter of density $h [electronic resource] : $b exploring the electron density concept in the chemical, biological, and materials sciences / $c edited by N. Sukumar.
260 $a Hoboken, N.J. : $b John Wiley, $c 2013.
300 $a 1 online resource (318 p.)
504 $a Includes bibliographical references and index.
505 0 $a Introduction of Probability Concepts in Physics -- Does God Play Dice? -- The Electron Density -- Atoms in Molecules -- Density Functional Approach to the Electronic Structure of Matter -- Density-Functional Approximations for Exchange and Correlation -- An Understanding of the Origin of Chemical Reactivity from a Conceptual DFT Approach -- Electron Density and Molecular Similarity -- Electrostatic Potentials and Local Ionization Energies in Nanomaterial Applications -- Probing Electron Dynamics with the Laplacian of the Momentum Density -- Applications of Modern Density Functional Theory to Surfaces and Interfaces.
520 $a "Electron density is one of the fundamental concepts underpinning modern chemistry, and this book presents a conceptual treatment of the subject with equal emphasis on computational and philosophical questions. Beginning with the use of probabilities in statistical physics and the origins of quantum mechanics, the conceptual and statistical framework developed is employed to treat quantum entanglement, Bader's theory of atoms in molecules, open systems, and the theory of insulators. Employing a coherent and logical structure, the book is accessible to students and faculty working in chemistry and computational materials science"-- $c Provided by publisher.
520 $a "This book presents a conceptual treatment of electron density with equal emphasis on computational and philosophical questions in a coherent and logically connected manner consisting of foundations, analysis, and applications"-- $c Provided by publisher.
588 $a Description based on online resource; title from digital title page (viewed on Dec. 18, 2012).
650 0 $a Electron distribution. $3 1567533
700 1 $a Sukumar, N., $d 1957- $3 2147230
856 4 0 $u http://onlinelibrary.wiley.com/book/10.1002/9781118431740