Molecular modelling on solutions of 1-1′-spirobipirrolidinium tetrafluoroborate in acetonitrile

Vovchynskyi, Igor S.; Kolesnik, Yaroslav V.; Filatov, Yaroslav I.; Kalugin, Oleg N.

doi:10.1016/j.molliq.2016.12.029

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“…Several approaches of modeling tetrafluoroborate anion were found in the literature: "coarse grain" (CG) models [9][10][11], polarizable models [9,12], rigid models [13][14][15][16], all-atom soft models [17][18][19][20][21][22][23][24][25][26].…”

Section: Various Approaches To Modeling Bf 4 In Classical Molecular Dmentioning

confidence: 99%

Force field of tetrafluoroborate anion for molecular dynamics simulation: a new approach

Vovchynskyi

Kalugin

2019

Chemical Series

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Section: Various Approaches To Modeling Bf 4 In Classical Molecular Dmentioning

confidence: 99%

Force field of tetrafluoroborate anion for molecular dynamics simulation: a new approach

Vovchynskyi

Kalugin

2019

Chemical Series

View full text Add to dashboard Cite

show abstract

Molecular modelling on solutions of 1-1′-spirobipirrolidinium tetrafluoroborate in acetonitrile

Cited by 1 publication

References 24 publications

Force field of tetrafluoroborate anion for molecular dynamics simulation: a new approach

Force field of tetrafluoroborate anion for molecular dynamics simulation: a new approach

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