On the calculation of atomic forces in classical simulation using the charge-on-spring method to explicitly treat electronic polarization

Daan P. Geerke, Wilfred F van Gunsteren

Research output: Contribution to Journal › Article › Academic › peer-review

Original language	English
Pages (from-to)	2128-2137
Journal	Journal of Chemical Theory and Computation
Volume	3
Issue number	6
DOIs	https://doi.org/10.1021/ct700164k
Publication status	Published - 2007

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title = "On the calculation of atomic forces in classical simulation using the charge-on-spring method to explicitly treat electronic polarization",

author = "Geerke, {Daan P.} and {van Gunsteren}, {Wilfred F}",

year = "2007",

doi = "10.1021/ct700164k",

language = "English",

volume = "3",

pages = "2128--2137",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

number = "6",

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T1 - On the calculation of atomic forces in classical simulation using the charge-on-spring method to explicitly treat electronic polarization

AU - Geerke, Daan P.

AU - van Gunsteren, Wilfred F

PY - 2007

Y1 - 2007

U2 - 10.1021/ct700164k

DO - 10.1021/ct700164k

M3 - Article

VL - 3

SP - 2128

EP - 2137

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

SN - 1549-9618

IS - 6

ER -