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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.
A tiny charge-scaling in the OPLS-AA + L-OPLS force field delivers the realistic dynamics and structure of liquid primary alcohols.
2022
Xuan Zhang
Yongtao Wang
Jia Yao
Haoran Li
Kenji Mochizuki
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