A new method to calculate broadband dielectric spectra of solvents from molecular dynamics simulations demonstrated with polarizable force fields.

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第一作者： Rebecca A,Bone

第一单位： Theiss Research, P.O. Box 127, La Jolla, California 92038, USA.;Material Measurement Laboratory, National Institute of Standards and Technology, 100 Bureau Dr., Gaithersburg, Maryland 20899, USA.

作者： Rebecca A,Bone ^[1] ; Moses K J,Chung ^[2] ; Jay W,Ponder ^[2] ; Demian,Riccardi ^[3] ; Chris,Muzny ^[3] ; Ravishankar,Sundararaman ^[4] ; Kathleen,Schwarz ^[5]

作者单位： Theiss Research, P.O. Box 127, La Jolla, California 92038, USA.;Material Measurement Laboratory, National Institute of Standards and Technology, 100 Bureau Dr., Gaithersburg, Maryland 20899, USA. ^[1] Department of Chemistry, Washington University in St. Louis, St. Louis, Missouri 63130, USA. ^[2] Material Measurement Laboratory, National Institute of Standards and Technology, 325 Broadway, Boulder, Colorado 80305, USA. ^[3] Department of Materials Science and Engineering, Rensselaer Polytechnic Institute, 110 8th St., Troy, New York 12180, USA. ^[4] Material Measurement Laboratory, National Institute of Standards and Technology, 100 Bureau Dr., Gaithersburg, Maryland 20899, USA. ^[5]

DOI 10.1063/5.0217883

PMID 39132799

发布时间 2024-10-25

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The Journal of chemical physics

2024年161卷6期

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A new method to calculate broadband dielectric spectra of solvents from molecular dynamics simulations demonstrated with polarizable force fields.

The Journal of chemical physics

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The Journal of chemical physics

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A new method to calculate broadband dielectric spectra of solvents from molecular dynamics simulations demonstrated with polarizable force fields.

The Journal of chemical physics

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The Journal of chemical physics

相关期刊

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