Computation of methodology-independent single-ion solvation properties from molecular simulations

IV. Optimized Lennard-Jones interaction parameter sets for the alkali and halide ions in water


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Date

2011-04

Publication Type

Journal Article

ETH Bibliography

yes

Citations

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Publication status

published

Editor

Book title

Volume

134 (14)

Pages / Article No.

144104

Publisher

American Institute of Physics

Event

Edition / version

Methods

Software

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Date collected

Date created

Subject

boundary-value problems; bromine; caesium; fluorine; free energy; iodine; ion-molecule reactions; Lennard-Jones potential; lithium; potassium; rubidium; sodium; solvation; van der Waals forces

Organisational unit

03304 - Van Gunsteren, Wilfred F. (emeritus) check_circle

Notes

Received 3 May 2010, Accepted 8 December 2010, Published online 8 April 2011.

Funding

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