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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Detalles Bibliográficos
Clasificación:Libro Electrónico
Autor Corporativo: SpringerLink (Online service)
Otros Autores: Shepard, Ron (Editor ), Pitzer, Russell M. (Editor ), Dunning, Thom (Editor )
Formato: Electrónico eBook
Idioma:Inglés
Publicado: Berlin, Heidelberg : Springer Berlin Heidelberg : Imprint: Springer, 2016.
Edición:1st ed. 2016.
Colección:Highlights in Theoretical Chemistry, 9
Temas:
Chemistry, Physical and theoretical.
Atomic structure  .
Molecular structure .
Physical chemistry.
Theoretical Chemistry.
Atomic and Molecular Structure and Properties.
Physical Chemistry.
Acceso en línea:Texto Completo
Tabla de Contenidos:
  • 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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