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A Radical Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA)
A Radical Correction for Inter Fragment Interaction Energy (IFIE) between Fragments Sharing Bond Detached Atom (BDA)
2019
Tatsuya Nakano
Yuji Mochidzuki
Kaori Fukuzawa
Yoshio Okiyama
Chiduru Watanabe
Keywords:
Artificial intelligence
Crystallography
Machine learning
Interaction energy
Atom
Chemistry
Bond
Correction
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