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2018 | 2 |
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Direct Calculation of Entropic Components in Cohesive Interaction Free Energies.
J Phys Chem B. 2021 Oct 7;125(39):11026-11035. doi: 10.1021/acs.jpcb.1c05748. Epub 2021 Sep 27.
J Phys Chem B. 2021.
PMID: 34570491
Characterizing Polymer Hydration Shell Compressibilities with the Small-System Method.
Tripathy M, Bharadwaj S, B SJ, van der Vegt NFA.
Tripathy M, et al. Among authors: b sj.
Nanomaterials (Basel). 2020 Jul 25;10(8):1460. doi: 10.3390/nano10081460.
Nanomaterials (Basel). 2020.
PMID: 32722500
Free PMC article.
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Nanoscale domains in ionic liquids: A statistical mechanics definition for molecular dynamics studies.
Shadrack Jabes B, Delle Site L.
Shadrack Jabes B, et al.
J Chem Phys. 2018 Nov 14;149(18):184502. doi: 10.1063/1.5054999.
J Chem Phys. 2018.
PMID: 30441924
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Probing spatial locality in ionic liquids with the grand canonical adaptive resolution molecular dynamics technique.
Shadrack Jabes B, Krekeler C, Klein R, Delle Site L.
Shadrack Jabes B, et al.
J Chem Phys. 2018 May 21;148(19):193804. doi: 10.1063/1.5009066.
J Chem Phys. 2018.
PMID: 30307223
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Excess entropy scaling of transport properties in network-forming ionic melts (SiO(2) and BeF(2)).
Agarwal M, Singh M, Shadrack Jabes B, Chakravarty C.
Agarwal M, et al. Among authors: shadrack jabes b.
J Chem Phys. 2011 Jan 7;134(1):014502. doi: 10.1063/1.3521488.
J Chem Phys. 2011.
PMID: 21219002
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