Comparative pseudopotential and all-electron ab initio studies of mono-, hexa- and octahydrate halogenide complexes
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
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1. On the halide hydration study: Development of first-principles halide ion-water interaction potential based on a polarizable model;The Journal of Chemical Physics;2003-11-08
2. Quantum and simulation studies of X−(H2O)n systems;Electrochimica Acta;1999-11
3. Ab initio molecular dynamics study of dilute hydrofluoric acid;MOL PHYS;1996
4. 17O- and 1H-NMR Studies of the Water Structure in Binary Aqueous Mixtures of Halogenated Organic Compounds;The Journal of Physical Chemistry;1996-01-01
5. On the existence of SH3, SeH3, and TeH3: Discrepancies between all-electron and pseudopotential calculations;Journal of Computational Chemistry;1995-09
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