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Record Nr. |
UNINA9910254056103321 |
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Titolo |
Isaiah Shavitt : A Memorial Festschrift from Theoretical Chemistry Accounts / / edited by Ron Shepard, Russell M. Pitzer, Thom Dunning |
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Pubbl/distr/stampa |
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Berlin, Heidelberg : , : Springer Berlin Heidelberg : , : Imprint : Springer, , 2016 |
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ISBN |
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Edizione |
[1st ed. 2016.] |
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Descrizione fisica |
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1 online resource (346 p.) |
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Collana |
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Highlights in Theoretical Chemistry, , 2194-8666 ; ; 9 |
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Disciplina |
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Soggetti |
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Chemistry, Physical and theoretical |
Atomic structure |
Molecular structure |
Theoretical and Computational Chemistry |
Atomic/Molecular Structure and Spectra |
Physical Chemistry |
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Lingua di pubblicazione |
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Formato |
Materiale a stampa |
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Livello bibliografico |
Monografia |
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Note generali |
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Description based upon print version of record. |
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Nota di bibliografia |
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Includes bibliographical references at the end of each chapters. |
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Nota di contenuto |
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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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Sommario/riassunto |
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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 in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal. |
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