A transferable double exponential potential for condensed phase simulations of small molecules
نویسندگان
چکیده
The Lennard-Jones potential is the most widely-used function for description of non-bonded interactions in transferable force fields condensed phase. This not because it has an optimal...
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ژورنال
عنوان ژورنال: Digital discovery
سال: 2023
ISSN: ['2635-098X']
DOI: https://doi.org/10.1039/d3dd00070b