Cargando…
Quantum chemistry : a concise introduction for students of physics, chemistry, biochemistry, and materials science /
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 undergradua...
| Clasificación: | Libro Electrónico |
|---|---|
| Autor principal: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
San Rafael [California] (40 Oak Drive, San Rafael, CA, 94903, USA) :
Morgan & Claypool Publishers,
[2014]
|
| Colección: | IOP (Series). Release 1.
IOP concise physics. |
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
| LEADER | 00000nam a2200000 4500 | ||
|---|---|---|---|
| 001 | IOP_9781627054164 | ||
| 003 | IOP | ||
| 005 | 20140729203456.0 | ||
| 006 | m eo d | ||
| 007 | cr bn |||m|||a | ||
| 008 | 140728s2014 caua ob 000 0 eng d | ||
| 020 | |a 9781627054164 |q electronic | ||
| 020 | |z 9781627054171 |q print | ||
| 024 | 7 | |a 10.1088/978-1-627-05416-4 |2 doi | |
| 035 | |a (CaBNVSL)thg00911505 | ||
| 035 | |a (OCoLC)882506352 | ||
| 040 | |a CaBNVSL |b eng |e rda |c CaBNVSL |d CaBNVSL | ||
| 050 | 4 | |a QD462 |b .T537 2014eb | |
| 072 | 7 | |a PHVQ |2 bicssc | |
| 072 | 7 | |a SCI013050 |2 bisacsh | |
| 082 | 0 | 4 | |a 541.28 |2 23 |
| 100 | 1 | |a Thakkar, Ajit J., |e author. | |
| 245 | 1 | 0 | |a Quantum chemistry : |b a concise introduction for students of physics, chemistry, biochemistry, and materials science / |c Ajit J Thakkar. |
| 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 online resource (various pagings) : |b illustrations. | ||
| 336 | |a text |2 rdacontent | ||
| 337 | |a electronic |2 isbdmedia | ||
| 338 | |a online resource |2 rdacarrier | ||
| 490 | 1 | |a [IOP release 1] | |
| 490 | 1 | |a IOP concise physics, |x 2053-2571 | |
| 500 | |a "Version: 20140601"--Title page verso. | ||
| 504 | |a Includes bibliographical references. | ||
| 505 | 0 | |a Preface -- 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 -- Schrödinger'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 Hückel model -- Cumulenes -- Annulenes -- Other planar conjugated hydrocarbons -- Charges, bond orders, and reactivity -- The Hückel 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). | ||
| 650 | 0 | |a Quantum chemistry. | |
| 650 | 7 | |a Chemical Physics. |2 bicssc | |
| 650 | 7 | |a SCIENCE / Chemistry / Physical & Theoretical. |2 bisacsh | |
| 710 | 2 | |a Institute of Physics (Great Britain), |e publisher. | |
| 776 | 0 | 8 | |i Print version: |z 9781627054171 |
| 830 | 0 | |a IOP (Series). |p Release 1. | |
| 830 | 0 | |a IOP concise physics. | |
| 856 | 4 | 0 | |u https://iopscience.uam.elogim.com/book/978-1-627-05416-4 |z Texto completo |