Synapse
⌘+K
Synapse
PulseExploreClubsResearchersJournals
Instagram
HomeClubsExplore
November 7, 2017Journal of Chemical Theory and ComputationOpen Access

Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations

View Full Paper
Ask AI
Bookmark
Share

Authors

BDBrian DohertyNew York UniversityXZXiang ZhongUniversity of Electronic Science and Technology of ChinaSGSymon GathiakaMerck & Co., Inc., Rahway, NJ, USA (United States)

Discussion

Loading...

Member takes

Implication

Key Points

Key points are not available for this paper at this time.

Cite This Study

Doherty et al. (2017) studied this question.

synapsesocial.com/papers/69d696f096200ba434db8350https://doi.org/10.1021/acs.jctc.7b00520
View Full Paper
Ask AI
Bookmark
Share

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

  1. 1P ACKMOL : A package for building initial configurations for molecular dynamics simulations2009 · 9,959 citations
  2. 2Thermodynamics and quantum corrections from molecular dynamics for liquid water1983 · 340 citations
  3. 3Ionic liquids studied across different scales: A computational perspective2011 · 104 citations
  4. 4Comparing reduced partial charge models with polarizable simulations of ionic liquids2012 · 296 citations
  5. 5On the Structure of Ionic Liquids: Comparisons between Electronically Polarizable and Nonpolarizable Models I2010 · 101 citations