Cantitate/Preț
Produs

Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy: Understanding Chemical Reactivity, cartea 13

Editat de S. Langhoff
en Limba Engleză Paperback – 12 oct 2012
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.
Citește tot Restrânge

Toate formatele și edițiile

Toate formatele și edițiile Preț Express
Paperback (1) 70604 lei  6-8 săpt.
  SPRINGER NETHERLANDS – 12 oct 2012 70604 lei  6-8 săpt.
Hardback (1) 68497 lei  6-8 săpt.
  Springer – 28 feb 1995 68497 lei  6-8 săpt.

Din seria Understanding Chemical Reactivity

Preț: 70604 lei

Preț vechi: 86102 lei
-18%

Puncte Express: 1059

Preț estimativ în valută:
12482 14807$ 10808£

Carte tipărită la comandă

Livrare economică 18 martie-01 aprilie


Specificații

ISBN-13: 9789401040877
ISBN-10: 9401040877
Pagini: 460
Ilustrații: V, 449 p.
Dimensiuni: 160 x 240 x 24 mm
Greutate: 0.64 kg
Ediția:Softcover reprint of the original 1st ed. 1995
Editura: SPRINGER NETHERLANDS
Colecția Springer
Seria Understanding Chemical Reactivity

Locul publicării:Dordrecht, Netherlands

Public țintă

Research

Cuprins

1 Exact Quantum Chemistry by Monte Carlo Methods.- 47 Achieving Chemical Accuracy with Coupled-Cluster Theory.- 109 Magnetic Hyperfine Coupling Constants in Free Radicals.- 139 Calculation of Accurate Bond Energies, Electron Affinities, and Ionization Energies.- 173 Accurate Theoretical Studies of Small Elemental Clusters.- Electronic Spectroscopy of Diatomic Molecules.- 261 Theoretical Spectoscopy of Small Molecules: Ab Initio Investigations of Vibronic Structure, Spin-Orbit Splittings and Magnetic Hyperfine Effects in the Electronic Spectra of Triatomic Molecules.- Theoretical Studies of the Electronic Spectra of Organic Molecules.