To Polarize or not to Polarize? Charge-on-Spring versus KBFF models for water and methanol bulk and vapor-liquid interfacial mixtures.

E.A. Ploetz, A.S. Rustenburg, D.P. Geerke, P.E. Smith

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

Original language	Undefined/Unknown
Pages (from-to)	2373-2387
Journal	Journal of Chemical Theory and Computation
Volume	12
Issue number	5
DOIs	https://doi.org/10.1021/acs.jctc.5b01115
Publication status	Published - 2016

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title = "To Polarize or not to Polarize? Charge-on-Spring versus KBFF models for water and methanol bulk and vapor-liquid interfacial mixtures.",

author = "E.A. Ploetz and A.S. Rustenburg and D.P. Geerke and P.E. Smith",

year = "2016",

doi = "10.1021/acs.jctc.5b01115",

language = "Undefined/Unknown",

volume = "12",

pages = "2373--2387",

journal = "Journal of Chemical Theory and Computation",

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publisher = "American Chemical Society",

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TY - JOUR

T1 - To Polarize or not to Polarize? Charge-on-Spring versus KBFF models for water and methanol bulk and vapor-liquid interfacial mixtures.

AU - Ploetz, E.A.

AU - Rustenburg, A.S.

AU - Geerke, D.P.

AU - Smith, P.E.

PY - 2016

Y1 - 2016

U2 - 10.1021/acs.jctc.5b01115

DO - 10.1021/acs.jctc.5b01115

M3 - Article

SN - 1549-9618

VL - 12

SP - 2373

EP - 2387

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 5

ER -