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Ideas of quantum chemistry. Volume 2, Interactions /

"Ideas of Quantum Chemistry, Volume Two: Interactions highlights the motions and systems in quantum chemistry and the models and tools used to assess them, thus giving detailed insights into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationsh...

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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor principal: Piela, Lucjan, 1943- (Autor)
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Amsterdam, Netherlands : Elsevier, [2020]
Edición:Third edition.
Temas:
Acceso en línea:Texto completo

MARC

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082 0 4 |a 541/.28  |2 23 
100 1 |a Piela, Lucjan,  |d 1943-  |e author. 
245 1 0 |a Ideas of quantum chemistry.  |n Volume 2,  |p Interactions /  |c Lucjan Piela. 
246 3 0 |a Interactions 
250 |a Third edition. 
264 1 |a Amsterdam, Netherlands :  |b Elsevier,  |c [2020] 
264 4 |c �2020 
300 |a 1 online resource (xxv, 659, [1] pages) :  |b illustrations (some color) 
336 |a text  |b txt  |2 rdacontent 
337 |a computer  |b c  |2 rdamedia 
338 |a online resource  |b cr  |2 rdacarrier 
504 |a Includes bibliographical references and index. 
505 0 |a Introduction -- Electronic orbital interactions in periodic systems -- Correlation and anticorrelation of electronic motions -- Chasing the correlation dragon: density functional theory (DFT) -- The molecule subject to electric or magnetic fields -- Intermolecular interactions -- Chemical reactions -- Information processing: the mission of chemistry -- Appendices. Dirac notation for integrals. Hartree-Fock (or molecular orbitals) method -- Second quantization -- Population analysis -- Pauli deformation -- Hydrogen atom in electric field: variational approach -- Multipole expansion -- NMR shielding and coupling constants: derivation -- Acceptor-donor structure contributions in the MO configuration -- Acronyms and their explanation. 
520 |a "Ideas of Quantum Chemistry, Volume Two: Interactions highlights the motions and systems in quantum chemistry and the models and tools used to assess them, thus giving detailed insights into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationships between different topics, systems and methods, it answers questions and emphasizes knowledge using practical examples. Beginning with a review of the orbital model of electronic motion in periodic systems, the book goes on to explore the correlation of electronic motions, density functional theory (DFT), electric and magnetic fields, intermolecular interactions, chemical reactions and information processing. This third release has been updated and revised to cover the latest developments in the field. It can be used on its own as a guide to key interactions and tools or in combination with Volume One to give a complete overview of the field"--Publisher's description 
588 0 |a Online resource; title from resource home page (ProQuest Ebook Central, viewed January 11, 2021). 
650 0 |a Quantum chemistry. 
650 6 |a Chimie quantique.  |0 (CaQQLa)201-0045730 
650 7 |a Quantum chemistry.  |2 fast  |0 (OCoLC)fst01085086 
700 1 |i Accompanied by:  |a Piela, Lucjan,  |d 1943-  |t Ideas of quantum chemistry.  |n Volume 1,  |p From quantum physics to chemistry.  |f 2020. 
776 0 8 |i Print version:  |a Piela, Lucjan, 1943-  |t Ideas of quantum chemistry. Volume 2, Interactions.  |b Third edition.  |d Amsterdam, Netherlands : Elsevier, [2020]  |z 9780444642493  |w (OCoLC)1096518233 
856 4 0 |u https://sciencedirect.uam.elogim.com/science/book/9780444642486  |z Texto completo