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Quantum chemistry : = a concise introduction for students of physics, chemistry, biochemistry, and materials science /

紀錄類型:	書目-語言資料,印刷品 : Monograph/item
正題名/作者:	Quantum chemistry :/ Ajit J Thakkar.
其他題名:	a concise introduction for students of physics, chemistry, biochemistry, and materials science /
其他題名:	Concise introduction for students of physics, chemistry, biochemistry, and materials science.
作者:	Thakkar, Ajit J.,
面頁冊數:	1 PDF (various pagings) :illustrations. :
附註:	"Version: 20140601"--Title page verso.
標題:	Quantum chemistry. -
電子資源:	http://iopscience.iop.org/book/978-1-627-05416-4
ISBN:	9781627054164

Quantum chemistry : = a concise introduction for students of physics, chemistry, biochemistry, and materials science /
Thakkar, Ajit J.,

Quantum chemistry :a concise introduction for students of physics, chemistry, biochemistry, and materials science /Concise introduction for students of physics, chemistry, biochemistry, and materials science.Ajit J Thakkar. - 1 PDF (various pagings) :illustrations. - IOP concise physics..

"Version: 20140601"--Title page verso.

Includes bibliographical references.

Preface

This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum chemistry to second-or third-year undergraduates either as a stand-alone one-semester course or as part of a physical chemistry or materials science course. Researchers in related fields can use the book as a quick introduction or refresher.

Mode of access: World Wide Web.

ISBN: 9781627054164

Standard No.: 10.1088/978-1-627-05416-4doiSubjects--Topical Terms:

848122
Quantum chemistry.

LC Class. No.: QD462 / .T537 2014eb

Dewey Class. No.: 541.28

Quantum chemistry : = a concise introduction for students of physics, chemistry, biochemistry, and materials science /
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246 3 0 $a Concise introduction for students of physics, chemistry, biochemistry, and materials science.
264 1 $a San Rafael [California] (40 Oak Drive, San Rafael, CA, 94903, USA) : $b Morgan & Claypool Publishers, $c [2014]
264 2 $a Bristol [England] (Temple Circus, Temple Way, Bristol BS1 6HG, UK) : $b IOP Publishing, $c [2014]
300 $a 1 PDF (various pagings) : $b illustrations.
336 $a text $2 rdacontent
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500 $a "Version: 20140601"--Title page verso.
504 $a Includes bibliographical references.
505 0 $a Preface
505 8 $a Molecular symmetry -- Symmetry operations and elements -- Classification of molecular symmetry -- Implications of symmetry
505 8 $a Basic quantum mechanics -- Wave functions specify a system's state -- Operators represent observables -- Schr�odinger's equation -- Measured and average values
505 8 $a Translation and vibration -- A particle in a wire -- A harmonic oscillator
505 8 $a Symmetry and degeneracy -- A particle in a rectangular plate -- Symmetry leads to degeneracy -- Probabilities in degenerate states -- Are degenerate wave functions unique? -- Symmetry of wave functions
505 8 $a Rotational motion -- A particle on a ring -- A particle on a sphere -- The rigid rotor model
505 8 $a The hydrogen atom -- The Born-Oppenheimer approximation -- The electronic Hamiltonian -- The hydrogen atom -- Hydrogen-like ions
505 8 $a A one-electron molecule : H+2 -- The LCAO model -- LCAO potential energy curves -- The variation method -- Beyond the LCAO model -- Force constant and dissociation energy -- Excited states
505 8 $a Many-electron systems -- The helium atom -- Spin and the Pauli postulate -- Electron densities -- The Hartree-Fock model -- Atoms -- Diatomic molecules -- The Kohn-Sham model
505 8 $a Qualitative MO theory -- The H�uckel model -- Cumulenes -- Annulenes -- Other planar conjugated hydrocarbons -- Charges, bond orders, and reactivity -- The H�uckel model is not quantitative
505 8 $a Computational chemistry -- Computations are now routine -- So many choices to be made -- Practical calculations -- Appendices -- A. Reference material -- B. Problem hints and solutions.
520 3 $a This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum chemistry to second-or third-year undergraduates either as a stand-alone one-semester course or as part of a physical chemistry or materials science course. Researchers in related fields can use the book as a quick introduction or refresher.
530 $a Also available in print.
538 $a Mode of access: World Wide Web.
538 $a System requirements: Adobe Acrobat Reader.
588 $a Title from PDF title page (viewed on July 28, 2014).
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830 0 $a IOP concise physics. $3 985735
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