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Nonlocal (pair site...
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Contreras, RUppsala universitet
(author)
Nonlocal (pair site) reactivity from second-order static density response function: Gas- and solution-phase reactivity of the acetaldehyde enolate as a test case
- Article/chapterEnglish1999
Publisher, publication year, extent ...
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AMER CHEMICAL SOC,1999
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printrdacarrier
Numbers
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LIBRIS-ID:oai:DiVA.org:uu-67503
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https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-67503URI
Supplementary language notes
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Language:English
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Summary in:English
Part of subdatabase
Classification
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Subject category:vet swepub-contenttype
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Subject category:art swepub-publicationtype
Notes
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Addresses: Contreras R, Univ Jaume 1, Dept Ciences Expt, Box 242, Castello 12080, Spain. Univ Jaume 1, Dept Ciences Expt, Castello 12080, Spain. Univ Valencia, Dept Quim Organ, E-46100 Valencia, Spain. Univ Uppsala, Dept Phys Chem, S-75121 Uppsala, Sweden
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A nonlocal (pair site) reactivity scheme is developed and tested. The theory is cast in terms of the first-order Fukui response function f(r,r'), previously proposed by Fuentealba and Pan: [J. Chem. Phys. 1991, 94, 5559]. A change of variables is introduc
Subject headings and genre
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TRANSITION STRUCTURES; LOCAL HARDNESS; ALKYLATION; DIANION; MODEL; STEREOSELECTIVITY; PARAMETERS; SOFTNESS; ENERGIES; LITHIUM
Added entries (persons, corporate bodies, meetings, titles ...)
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Domingo, LRUppsala universitet
(author)
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Andres, JUppsala universitet
(author)
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Perez, PUppsala universitet
(author)
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Tapia, OUppsala universitet
(author)
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Uppsala universitet
(creator_code:org_t)
Related titles
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In:JOURNAL OF PHYSICAL CHEMISTRY A: AMER CHEMICAL SOC103:10, s. 1367-13751089-5639
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