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Intermolecular interaction energy

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3 results in Keywords: Intermolecular interaction energy

Materials Chemistry

Unraveling the Structural and Property Differences Between Highly Similar Chiral and Racemic Crystals Composed of Analogous Molecules

Kazuki Ishizaki, Daisuke Takagi, Toru Asahi, Masahiro Kuramochi, Takuya Taniguchi

Version 1 posted 27 April 2023

96

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Biological and Medicinal Chemistry

Quantum Chemical Interaction Analysis between SARS-CoV-2 Main Protease and Ensitrelvir (Xocova) Compared with Its Initial Screening Hit

Chiduru Watanabe, Shigenori Tanaka, Yoshio Okiyama, Hitomi Yuki, Tatsuya Ohyama, Kikuko Kamisaka, Daisuke Takaya, Kaori Fukuzawa, Teruki Honma

Version 1 posted 02 December 2022

269

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Physical Chemistry

Complexes of HNgY with HX (Y, X = F, Cl, Br, I): Symmetry-Adapted Perturbation-Theory Study and Anharmonic Vibrational Analysis

Bartosz Dzięcioł, Irina Osadchuk, Janusz Cukras, Jan Lundell

Version 1 posted 20 December 2022

111

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