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Title: Solvent exchange in liquid methanol and rate theory

Journal Article · · Chemical Physics Letters
;

Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI ID:
1358998
Journal Information:
Chemical Physics Letters, Journal Name: Chemical Physics Letters Vol. 643 Journal Issue: C; ISSN 0009-2614
Publisher:
ElsevierCopyright Statement
Country of Publication:
Netherlands
Language:
English
Citation Metrics:
Cited by: 5 works
Citation information provided by
Web of Science

References (23)

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Understanding the Rates and Molecular Mechanism of Water-Exchange around Aqueous Ions Using Molecular Simulations journal June 2014
Many-body interactions in liquid methanol and its liquid/vapor interface: A molecular dynamics study journal November 2003
Dynamic solvent effects on activated chemical reactions Part II.—Quantum mechanical effects
  • McRae, Robin P.; Schenter, Gregory K.; Garrett, Bruce C.
  • Journal of the Chemical Society, Faraday Transactions, Vol. 93, Issue 5 https://doi.org/10.1039/a605914g
journal January 1997
Dynamics of ion pair interconversion in a polar solvent journal November 1990
Current status of transition-state theory journal July 1983
Variational transition state theory for activated chemical reactions in solution journal September 1994
Dynamic solvent effects on activated chemical reactions. I. Classical effects of reaction path curvature journal December 1992
Inorganic and Bioinorganic Solvent Exchange Mechanisms journal June 2005
Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space journal April 2013
On the Residence Time for Water in a Solute Hydration Shell: Application to Aqueous Halide Solutions journal July 2008
Variational Transition State Theory journal October 1984
Classical and quantum mechanical studies of ice Ih near the melting temperature journal January 1996
A smooth particle mesh Ewald method journal November 1995
The stable states picture of chemical reactions. II. Rate constants for condensed and gas phase reaction models journal September 1980
Chemical Reaction Dynamics in Solution journal October 1985
Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes journal March 1977
Potential of mean force by constrained molecular dynamics: A sodium chloride ion-pair in water journal August 1991
A dynamical theory of unimolecular ionic dissociation reactions in polar solvents journal February 1988
Water exchange on metal ions: experiments and simulations journal June 1999

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