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Isaiah Shavitt A Memorial Festschrift from Theoretical Chemistry Accounts

In this Festschrift dedicated to the late Isaiah Shavitt (1925-2012) , selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available i...

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Bibliographic Details
Other Authors: Shepard, Ron (Editor), Pitzer, Russell M. (Editor), Dunning, Thom (Editor)
Format: eBook
Language:English
Published: Berlin, Heidelberg Springer Berlin Heidelberg 2016, 2016
Edition:1st ed. 2016
Series:Highlights in Theoretical Chemistry
Subjects:
Chemistry, Physical And Theoretical
Physical Chemistry
Atomic Structure  
Theoretical Chemistry
Molecular Structure 
Atomic And Molecular Structure And Properties
Online Access:
Collection: Springer eBooks 2005- - Collection details see MPG.ReNa
Table of Contents:
  • From the Contents: The Second Order Ehrenfest Method A Practical CASSCF Approach to Coupled Electron-Nuclear Dynamics
  • Anchoring the Potential Energy Surface for the Br + H2O → HBr + OH Reaction
  • Isaiah Shavitt - Computational Chemistry Pioneer.-Comparison of one-dimensional and quasi-one-dimensional Hubbard models from the variational two-electron reduced-density-matrix method
  • Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning

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