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A tiny charge-scaling in the OPLS-AA + L-OPLS force field delivers the realistic dynamics and structure of liquid primary alcohols.
Xuan Zhang
Yongtao Wang
Jia Yao
Haoran Li
Kenji Mochizuki
Published in:
J. Comput. Chem. (2022)
Keyphrases
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force field
active contours
surface reconstruction
boundary conditions
image processing
deformable models
active contour model