“Structure Breaking” Effect of Hydrated Cs+
- 10 February 2004
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 108 (9), 1509-1514
- https://doi.org/10.1021/jp037179v
Abstract
No abstract availableThis publication has 29 references indexed in Scilit:
- Characterization of dynamics and reactivities of solvated ions byab initiosimulationsJournal of Computational Chemistry, 2003
- Structure and Dynamics of Metal Ions in Solution: QM/MM Molecular Dynamics Simulations of Mn2+and V2+Journal of the American Chemical Society, 2003
- Hydration Structure and Water Exchange Reaction of Nickel(II) Ion: Classical and QM/MM SimulationsThe Journal of Physical Chemistry A, 2002
- Born−Oppenheimer ab Initio QM/MM Dynamics Simulations of Na+and K+in Water: From Structure Making to Structure Breaking EffectsThe Journal of Physical Chemistry A, 1998
- Hybrid Models for Combined Quantum Mechanical and Molecular Mechanical ApproachesThe Journal of Physical Chemistry, 1996
- Parallel direct SCF and gradient program for workstation clustersJournal of Computational Chemistry, 1993
- Structure and dynamics of hydrated ionsChemical Reviews, 1993
- Molecular dynamics study of an aqueous strontium chloride solutionThe Journal of Physical Chemistry, 1988
- Density-functional exchange-energy approximation with correct asymptotic behaviorPhysical Review A, 1988
- Molecular orbital predictions of the vibrational frequencies of some molecular ionsThe Journal of Chemical Physics, 1985