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522. André Nicolai Petelski; Silvana Carina Pamies; María Josefina Verónica Márquez; Gladis L. Sosa; Nélida M. Peruchena, Impact of Covalent Modifications on the Hydrogen Bond Strengths in Diaminotriazine Supramolecules. ChemPhysChem 2022, 23(13).

523. Sean A. C. McDowell; Na Liu; Qingzhong Li, Noncovalent interactions in model molecular clusters containing the tetrel atoms Si and Ge. Molecular Physics 2022, 120(17).

524. Anmar Hameed Bloh; Mustafa M. Kadhim; Rasha Fadhel Obaid; Taleeb Zedan Taban; Safa K. Hachim; Sallal A.H. Abdullaha; Haider Abdulkareem Almashhadani; Y. Anshul, Chlorine trifluoride gas adsorption on the Fe, Ru, Rh, and Ir decorated gallium nitride nanotubes. Solid State Communications 2022. 114945-114945.

525. Yiqiang Deng; Zanzhang; Weiliang Cao; Yuan Liu; Baishu Zheng; Zhaoxu Wang, -Comparison of σ/ π-hole aerogen-bonding interactions based on C2H4···NgOX2 (Ng = Kr, Xe; X = F, Cl, Br) complexes. Journal of Molecular Modeling 2022, 28(11).

526. Shuyang Liu; Songyan Xia; Dongxiao Yue; Hao-Ran Sun; Hajime Hirao, The Bonding Nature of Fe–CO Complexes in Heme Proteins. Inorganic Chemistry 2022, 61(44), 17494-17504.

527. Shuaipeng Jia; Hebo Ye; Lei You, Interplay between chalcogen bonds and dynamic covalent bonds. Organic Chemistry Frontiers 2022, 9(15), 3966-3975.

528. Nahoko Kuroki; Yukina Uchino; Tamon Funakura; Hirotoshi Mori, Electronic fluctuation difference between trimethylamine N-oxide and tert-butyl alcohol in water. Scientific Reports 2022, 12(1).

529. Dmitri G. Fedorov, Polarization energies in the fragment molecular orbital method. Journal of Computational Chemistry 2022, 43(16), 1094-1103.

530. Dan Fan; Juan Du; Jing‐Shuang Dang; Changwei Wang; Yirong Mo, The strength and selectivity of perfluorinated nano‐hoops and buckybowls for anion binding and the nature of anion‐π interactions. Journal of Computational Chemistry 2022, 44(3), 138-148.

531. Padeleimon Karafiloglou; Katerina Kyriakidou, A Bridge Between MO And VB: The VB Description Of Functional Groups Inside Molecules By Means Of Poly-Electron Population Analysis. Elsevier eBooks 2022. 625-641.

532. Jinming Fan; Chao Qian; Shaodong Zhou, Machine Learning Spectroscopy Based on Group Contribution and Molecule Contribution Methods. Research Square (Research Square) 2022.

533. Fuming Ying; Chen Zhou; Avital Shurki; David Danovich; Thijs Stuyver; Benoı̂t Braı̈da; Wei Wu, A Tutorial on XMVB. Elsevier eBooks 2022. 276-310.

534. Abdulrahman Aldossary; Martí Gimferrer; Yuezhi Mao; Hongxia Hao; Akshaya Kumar Das; Pedro Salvador; Teresa Head‐Gordon; Martin Head‐Gordon, Force Decomposition Analysis: A method to decompose intermolecular forces into physically relevant component contributions. 2022.

535. Punhasa S. Senanayake; Raulia Syrlybaeva; Marat R. Talipov, Unusual In-plane Aromaticity Facilitates Intramolecular Hydrogen Transfer in Long-Bonded cis-Isonitrosyl Methoxide. The Journal of Physical Chemistry A 2022, 126(39), 6826-6833.

536. Xuhui Lin; Weiqin Tian; Wei Wu; Yirong Mo, Evidence for πCHR→dM bonding in transition metal carbene compounds (LnMCHR) and its decisive role in the α-agostic effect. Physical Chemistry Chemical Physics 2022, 24(38), 23420-23426.

537. Slavko Radenković; Dominik Domin; Julien Toulouse; Benoı̂t Braı̈da, The Valence-Bond Quantum Monte Carlo Method. Elsevier eBooks 2022. 331-353.

538. Yifei Xie; Penghui Yuan; Tianyu Heng; Li-Da Du; Qi An; Baoxi Zhang; Li Zhang; Dezhi Yang; Guanhua Du; Yang Lü, Insight into the Formation of Cocrystal and Salt of Tenoxicam from the Isomer and Conformation. Pharmaceutics 2022, 14(9), 1968-1968.

539. Chen Zhou; Xun Wu; Peikun Zheng; Fuming Ying; Peifeng Su; Wei Wu, Ab initio Valence Bond Theory with Density Functional. Current Chinese Science 2022, 3(2), 141-153.

540. T. Pooventhiran; Abdullah Yahya Abdullah Alzahrani; K.J. Rajimon; Renjith Thomas, Solvent interaction and dynamics of neurotransmitters ‐aspartic acid and ‐glutamic acid with water and ethanol. Journal of Molecular Structure 2022. 134347-134347.