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000752159 019__ $$a926060867$$a932333442
000752159 020__ $$a9783662481486$$q(electronic book)
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000752159 0247_ $$a10.1007/978-3-662-48148-6$$2doi
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000752159 049__ $$aISEA
000752159 050_4 $$aQD455.3.C64
000752159 08204 $$a542.85$$223
000752159 24500 $$aIsaiah Shavitt$$h[electronic resource] :$$ba memorial festschrift from theoretical chemistry accounts /$$cRon Shepard, Russell M. Pitzer, Thom Dunning, volume editors ; with contributions from Aleksey B. Alekseyev [and sixty one others].
000752159 264_1 $$aHeidelberg ;$$aNew York :$$bSpringer,$$c[2016]
000752159 264_4 $$c©2016
000752159 300__ $$a1 online resource :$$billustrations
000752159 336__ $$atext$$btxt$$2rdacontent
000752159 337__ $$acomputer$$bc$$2rdamedia
000752159 338__ $$aonline resource$$bcr$$2rdacarrier
000752159 4901_ $$aHighlights in theoretical chemistry,$$x2194-8666 ;$$vVol. 9
000752159 500__ $$a"Originally published in Theor Chem Acc, Volume 133 (2014), © Springer-Verlag Berlin Heidelberg 2014"--T.p. verso.
000752159 504__ $$aIncludes bibliographical references.
000752159 5050_ $$aFrom 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.
000752159 506__ $$aAccess limited to authorized users.
000752159 520__ $$aIn 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.
000752159 588__ $$aOnline resource; title from PDF title page (viewed October 21, 2015).
000752159 60010 $$aShavitt, Isaiah,$$d1925-
000752159 650_0 $$aChemistry, Physical and theoretical$$xComputer simulation.
000752159 650_0 $$aChemistry$$xData processing.
000752159 650_0 $$aDynamics$$xComputer simulation.
000752159 7001_ $$aShepard, Ron,$$eeditor.
000752159 7001_ $$aPitzer, Russell M.,$$eeditor.
000752159 7001_ $$aDunning, Thom,$$eeditor.
000752159 7001_ $$aAlekseyev, Aleksey B.
000752159 7001_ $$aShavitt, Isaiah,$$d1925-$$ehonouree.
000752159 77608 $$io Print version:$$z9783662481479
000752159 830_0 $$aHighlights in theoretical chemistry ;$$vVol. 9.
000752159 852__ $$bebk
000752159 85640 $$3SpringerLink$$uhttps://univsouthin.idm.oclc.org/login?url=http://link.springer.com/10.1007/978-3-662-48148-6$$zOnline Access$$91397441.1
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