QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians

Daan P. Geerke, Stephan Thiel, Walter Thiel, Wilfred F van Gunsteren

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

Original language	English
Pages (from-to)	297-302
Journal	Physical Chemistry Chemical Physics - PCCP
Volume	10
Issue number	2
DOIs	https://doi.org/10.1039/b713197f
Publication status	Published - 2008

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title = "QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians",

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

year = "2008",

doi = "10.1039/b713197f",

language = "English",

volume = "10",

pages = "297--302",

journal = "Physical Chemistry Chemical Physics",

issn = "1463-9076",

publisher = "The Royal Society of Chemistry",

number = "2",

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TY - JOUR

T1 - QM-MM interactions in simulations of liquid water using combined semi-empirical/classical Hamiltonians

AU - Geerke, Daan P.

AU - Thiel, Stephan

AU - Thiel, Walter

AU - van Gunsteren, Wilfred F

PY - 2008

Y1 - 2008

U2 - 10.1039/b713197f

DO - 10.1039/b713197f

M3 - Article

VL - 10

SP - 297

EP - 302

JO - Physical Chemistry Chemical Physics

JF - Physical Chemistry Chemical Physics

SN - 1463-9076

IS - 2

ER -