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ON THE ROLE OF ELECTRIC-FIELDS FOR PROTON-TRANSFER IN WATER
Uppsala University.
Uppsala University.
1995 (English)In: SOLID STATE IONICS, Vol. 77, 34-42 p.Other (Other scientific)
Abstract [en]

The influence of uniform and non-uniform electric fields on one-dimensional proton transfer curves for (H2O)(2), H5O2+ and H3O2- has been examined using quantum-mechanical ab initio calculations. Both liquid-state and solid-state environments are discuss

Place, publisher, year, pages
ELSEVIER SCIENCE BV , 1995. Vol. 77, 34-42 p.
Keyword [en]
PROTON TRANSFER; ELECTRIC FIELDS; HYDROGEN-BOND; SCF-CI; AQUEOUS-SOLUTIONS; HYDRATION; ABINITIO; SYSTEMS; DENSITY; MODEL; DIMER; H3O2
Identifiers
URN: urn:nbn:se:uu:diva-68937OAI: oai:DiVA.org:uu-68937DiVA: diva2:96848
Note
Addresses: HERMANSSON K, UNIV UPPSALA, DEPT CHEM, BOX 531, S-75121 UPPSALA, SWEDEN.Available from: 2008-10-17 Created: 2008-10-17

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