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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
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- AMER CHEMICAL SOC,1999
- printrdacarrier
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- LIBRIS-ID:oai:DiVA.org:uu-67503
- https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-67503URI
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- Language:English
- Summary in:English
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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
- 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
- TRANSITION STRUCTURES; LOCAL HARDNESS; ALKYLATION; DIANION; MODEL; STEREOSELECTIVITY; PARAMETERS; SOFTNESS; ENERGIES; LITHIUM
Added entries (persons, corporate bodies, meetings, titles ...)
- Domingo, LRUppsala universitet (author)
- Andres, JUppsala universitet (author)
- Perez, PUppsala universitet (author)
- Tapia, OUppsala universitet (author)
- Uppsala universitet (creator_code:org_t)
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- In:JOURNAL OF PHYSICAL CHEMISTRY A: AMER CHEMICAL SOC103:10, s. 1367-13751089-5639
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