Potential energy curves crossing and low-energy charge transfer dynamics in (BeH2O)2+ complex
Author:
Publisher
Springer Science and Business Media LLC
Subject
General Physics and Astronomy
Link
http://link.springer.com/content/pdf/10.1007/s11433-012-4714-9.pdf
Reference19 articles.
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3. Trachtman M, Markham G D, Glusker J P, et al. Interaction of metal ions with water: Ab initio molecular orbital studies of structure, bonding Enthalpies, vibrational frequencies and charge distributions. Inorg Chem, 1998, 37: 4421–4431
4. Kritayakornupong C, Plankensteiner K, Rode B M. Structure and dynamics of the Cr(III) ion in aqueous solution: Ab initio QM/MM molecular dynamics simulation. J Comput Chem, 2004, 25: 1576–1583
5. Clementi E, Corongiu G. Study of the structure of molecular complexes. XVI. Doubly charge cations interacting with water. J Chem Phys, 1978, 69: 4885–4887
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