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Capturing through-bond non-local effects in torsion parameters using fractional bond orders
Capturing through-bond non-local effects in torsion parameters using fractional bond orders
2020
Chaya D. Stern
Christopher I. Bayly
Daniel G. A. Smith
Josh Fass
Lee-Ping Wang
David L. Mobley
John D. Chodera
Keywords:
Bond
Torsion (mechanics)
Force field (physics)
Bond order
non local
Physics
Classical mechanics
Correction
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