Sökning: onr:"swepub:oai:DiVA.org:uu-67503" > Nonlocal (pair site...
Fältnamn | Indikatorer | Metadata |
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000 | 01802naa a2200301 4500 | |
001 | oai:DiVA.org:uu-67503 | |
003 | SwePub | |
008 | 081017s1999 | |||||||||||000 ||eng| | |
024 | 7 | a https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-675032 URI |
040 | a (SwePub)uu | |
041 | a engb eng | |
042 | 9 SwePub | |
072 | 7 | a vet2 swepub-contenttype |
072 | 7 | a art2 swepub-publicationtype |
100 | 1 | a Contreras, Ru Uppsala universitet4 aut |
245 | 1 0 | a Nonlocal (pair site) reactivity from second-order static density response function: Gas- and solution-phase reactivity of the acetaldehyde enolate as a test case |
264 | 1 | b AMER CHEMICAL SOC,c 1999 |
338 | a print2 rdacarrier | |
500 | a 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 | |
520 | a 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 | |
653 | a TRANSITION STRUCTURES; LOCAL HARDNESS; ALKYLATION; DIANION; MODEL; STEREOSELECTIVITY; PARAMETERS; SOFTNESS; ENERGIES; LITHIUM | |
700 | 1 | a Domingo, LRu Uppsala universitet4 aut |
700 | 1 | a Andres, Ju Uppsala universitet4 aut |
700 | 1 | a Perez, Pu Uppsala universitet4 aut |
700 | 1 | a Tapia, Ou Uppsala universitet4 aut |
710 | 2 | a Uppsala universitet4 org |
773 | 0 | t JOURNAL OF PHYSICAL CHEMISTRY Ad : AMER CHEMICAL SOCg 103:10, s. 1367-1375q 103:10<1367-1375x 1089-5639 |
856 | 4 8 | u https://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-67503 |
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