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Relationship between the electronic chemical potential and proton transfer barriers
Uppsala University.
Uppsala University.
Uppsala University.
Uppsala University, Teknisk-naturvetenskapliga vetenskapsområdet, Chemistry, Department of Physical Chemistry.
1997 (English)In: CHEMICAL PHYSICS LETTERS, ISSN 0009-2614, Vol. 269, no 5-6, 419-427 p.Article in journal (Refereed) Published
Abstract [en]

Gas phase proton transfer (PT) reactions in an isoelectronic series of neutral, positively and negatively charged hydrogen-bonded systems are analyzed using density functional theory calculations, Based on an equation of state relating the difference in p

Place, publisher, year, edition, pages
ELSEVIER SCIENCE BV , 1997. Vol. 269, no 5-6, 419-427 p.
Keyword [en]
IONIC HYDROGEN-BOND; GAS-PHASE; SOLVATION; AFFINITY; WATER; THERMOCHEMISTRY; IONIZATION; EQUILIBRIA; HYDRATION; EXCHANGE
Identifiers
URN: urn:nbn:se:uu:diva-73518OAI: oai:DiVA.org:uu-73518DiVA: diva2:101428
Note
Addresses: Perez P, UNIV AUTONOMA METROPOLITANA IZTAPALAPA, DEPT QUIM, DIV CIENCIAS BASICAS & INGN, AP 55-534, MEXICO CITY 09340, DF, MEXICO. UNIV UPPSALA, DEPT PHYS CHEM, S-75121 UPPSALA, SWEDEN.Available from: 2008-10-17 Created: 2008-10-17

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