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Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - S. Langhoff
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S. Langhoff:

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - copertina rigida, flessible

1995, ISBN: 0792332644

[EAN: 9780792332640], New book, [PU: SPRINGER NATURE Feb 1995], SCIENCE; SCIENCE / CHEMISTRY PHYSICAL & THEORETICAL; PHYSICS NUCLEAR, Besorgungstitel Neuware - Rare Book Procurement - The… Altro …

NEW BOOK. Costi di spedizione: EUR 2.90 AHA-Books, Einbeck, Germany [86569176] [Rating: 4 (of 5)]
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Langhoff, S. (ed.):

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - copertina rigida, flessible

ISBN: 9780792332640

[ED: Hardcover], [PU: Springer Netherlands], The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. Whi… Altro …

Costi di spedizione:Versandkostenfrei, Versand nach Deutschland. (EUR 0.00) buecher.de GmbH & Co. KG
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ISBN: 9780792332640

The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed t… Altro …

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Langhoff, S.:
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - copertina rigida, flessible

1995, ISBN: 9780792332640

[ED: Gebunden], [PU: Springer Netherlands], Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. The principal focus of this volume is to illus… Altro …

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Stephen R. Langhoff:
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy - copertina rigida, flessible

1995, ISBN: 0792332644

[EAN: 9780792332640], New book, [PU: Kluwer Academic Publishers], This item is printed on demand. New copy - Usually dispatched within 5-9 working days, Books

NEW BOOK. Costi di spedizione: EUR 8.14 THE SAINT BOOKSTORE, Southport, United Kingdom [51194787] [Rating: 5 (of 5)]

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Dettagli del libro
Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy S. Langhoff Editor

The principal focus of this volume is to illustrate the level of accuracy currently achievable by ab initio quantum chemical calculations. While new developments in theory are discussed to some extent, the major emphasis is on a comparison of calculated properties with experiment. This focus is similar to the one taken in a book, Comparison of Ab Initio Quantum Chemistry with Experiment for Small Molecules, edited by Rodney Bartlett (Reidel, 1984). However, the phenomenal improvement in both theoretical methods and computer architecture have made it possible to obtain accurate results for rather large molecular systems. This is perhaps best illustrated in this volume by the chapter entitled `Spectroscopy of Large Organic Molecules' by Bjorn Roos and coworkers. For example, the electronic spectra of the nucleic acid base monomer structures shown on the front cover have been obtained using a fully correlated ab initio study. For researchers, teachers and students in chemistry and physics.

Informazioni dettagliate del libro - Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy S. Langhoff Editor


EAN (ISBN-13): 9780792332640
ISBN (ISBN-10): 0792332644
Copertina rigida
Anno di pubblicazione: 1995
Editore: Springer-Verlag New York, LLC Core >2

Libro nella banca dati dal 2007-06-04T12:35:46+02:00 (Zurich)
Pagina di dettaglio ultima modifica in 2024-02-05T09:37:10+01:00 (Zurich)
ISBN/EAN: 9780792332640

ISBN - Stili di scrittura alternativi:
0-7923-3264-4, 978-0-7923-3264-0
Stili di scrittura alternativi e concetti di ricerca simili:
Autore del libro : langhoff


Dati dell'editore

Autore: S. Langhoff
Titolo: Understanding Chemical Reactivity; Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy
Editore: Springer Netherland
449 Pagine
Anno di pubblicazione: 1995-02-28
Peso: 0,951 kg
Lingua: Inglese
85,55 € (DE)
87,95 € (AT)
106,50 CHF (CH)
Not available (reason unspecified)

BB; GB; Hardcover, Softcover / Chemie/Physikalische Chemie; Physikalische Chemie; Verstehen; Research; BC

Exact Quantum Chemistry by Monte Carlo Methods; J.B. Anderson. Achieving Chemical Accuracy with Coupled-Cluster Theory; T.J. Lee, G.E. Scuseria. Magnetic Hyperfine Coupling Constants in Free Radicals; D.M. Chipman. Calculation of Accurate Bond Energies, Electron Affinities, and Ionization Energies; L.A. Curtiss, K. Raghavachari. Accurate Theoretical Studies of Small Elemental Clusters; K. Raghavachari, L.A. Curtiss. Electronic Spectroscopy of Diatomic Molecules; H. Partridge, S.R. Langhoff, C.W. Bauschlichter Jr. Theoretical Spectroscopy of Small Molecules: Ab Initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules; M. Peric, B. Engels, S.D. Peyerimhoff. Theoretical Studies of the Electronic Spectra of Organic Molecules; B.O. Roos, M. Fulscher, P.-A. Malmqvist, M. Merchan, L. Serrano-Andres. Index.

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