Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods

Jimmy C. Kromann, Casper Steinmann, Jan H. Jensen

12 Citationer (Scopus)

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@article{355fdec338144d37ad3a2be9b93a3ca9,

title = "Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods",

author = "Kromann, {Jimmy C.} and Casper Steinmann and Jensen, {Jan H.}",

year = "2018",

month = sep,

day = "14",

doi = "10.1063/1.5047273",

language = "English",

volume = "149",

journal = "The Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "10",

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TY - JOUR

T1 - Improving solvation energy predictions using the SMD solvation method and semiempirical electronic structure methods

AU - Kromann, Jimmy C.

AU - Steinmann, Casper

AU - Jensen, Jan H.

PY - 2018/9/14

Y1 - 2018/9/14

U2 - 10.1063/1.5047273

DO - 10.1063/1.5047273

M3 - Journal article

C2 - 30219007

SN - 0021-9606

VL - 149

JO - The Journal of Chemical Physics

JF - The Journal of Chemical Physics

IS - 10

M1 - 104102

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