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Journal of Computational Chemistry|September 2, 2022
Structure and bonding of proximity-enforced main-group dimers stabilized by a rigid naphthyridine diimine ligandJonas Weiser, Jingjing Cui, Rian D Dewhurst, et al.Journal of Computational Chemistry|September 5, 2022
The reactivity of the trapping reaction of the benzene-bridged boron/phosphorus-based frustrated Lewis pair with difluorocarbene and its group 14 analogs: A theoretical investigationZheng-Feng Zhang, Ming-Der SuJournal of Computational Chemistry|November 5, 2022
Thermochemistry of per- and polyfluoroalkyl substancesTimothé R L Melin, Preston Harell, Betoul Ali, et al.Journal of Computational Chemistry|October 3, 2022
Solvent effects in four-component relativistic electronic structure theory based on the reference interaction-site modelKodai Kanemaru, Yoshihiro Watanabe, Norio Yoshida, et al.Journal of Computational Chemistry|December 18, 2021
Taking the Monte-Carlo gamble: How not to buckle under the pressure!Yessica K Gomez, Andrew M Natale, James Lincoff, et al.Journal of Computational Chemistry|October 22, 2021
Graphene-induced planarization of cyclooctatetraene derivativesAsja A Kroeger, Amir KartonJournal of Computational Chemistry|October 22, 2021
Effects of mussel-inspired co-deposition of 2-hydroxymethyl methacrylate and poly (2-methoxyethyl acrylate) on the hydrophilicity and binding tendency of common hemodialysis membranes: Molecular dynamics simulations and molecular docking studiesArash Mollahosseini, Shaghayegh Saadati, Amira AbdelrasoulJournal of Computational Chemistry|October 5, 2021
Evaluation of a new series of pyrazole derivatives as a potent epidermal growth factor receptor inhibitory activity: QSAR modeling using quantum-chemical descriptorsRidha Ben Said, Riadh Hanachi, Seyfeddine Rahali, et al.Journal of Computational Chemistry|October 6, 2021
Feshbach resonances in D + HD(v = 1, j = 0) reaction at low collision energiesYuwen Bai, Bayaer Buren, Zijiang Yang, et al.Journal of Computational Chemistry|May 17, 2019
The helix-inversion mechanism in double-stranded helical oligomers bridged by rotary cyclic boronate estersTaku Hayashi, Ka Hung Lee, Hiroki Iida, et al.Pageof 593