CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches

Ching Ching Lam, Jonathan M. Goodman. CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. Journal of Chemical Information and Computer Sciences, 63(14):4364-4375, July 2023. [doi]

Authors

Ching Ching Lam

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Jonathan M. Goodman

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