301.
Luca Maidich; Maria I. Pilo; Jonathan P. Rourke; Guy J. Clarkson; Patrizia Canu; Sergio Stoccoro; Antonio Zucca*, Classical vs. Non-Classical Cyclometalated Pt(II) Complexes.
Molecules 2022,
27(21),
7249-7249.
302.
Ashith Thayyil; Priyakumari Chakkingal Parambil*, Lewis Acidity Trend of Boron and Aluminium Trihalides: If Not π Back‐Bonding, What Else?**.
ChemPhysChem 2022,
24(5).
303.
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).
304.
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.
305.
Letícia Maia Prates; José Walkimar de M. Carneiro; Maurício T. De M. Cruz, Influence of the metal − support and metal − metal interactions on Pd nucleation and NO adsorption in a Pd4/γ-Al2O3 (110D) model.
Journal of Molecular Modeling 2022,
28(12).
306.
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.
307.
Zhihao Niu; Sean A. C. McDowell; Qingzhong Li, Triel Bonds with Au Atoms as Electron Donors.
ChemPhysChem 2022,
24(6).
308.
Jason Shearer*; Dovydas Vasiliauskas; Kyle M. Lancaster*, Bonding and the role of electrostatics in driving C–C bond formation in high valent organocopper compounds.
Chemical Communications 2022,
59(1),
98-101.
309.
Sebastian Schwan; Andreas J. Achazi; Ferdinand Ziese; Peter R. Schreiner; Kerstin Volz; Stefanie Dehnen; Simone Sanna; Doreen Mollenhauer*, Insights into molecular cluster materials with adamantane‐like core structures by considering dimer interactions.
Journal of Computational Chemistry 2022,
44(7),
843-856.
310.
André Nicolai Petelski*; Darío J. R. Duarte*; Nélida M. Peruchena*, Nature and Strength of Weak O⋅⋅⋅O Interactions in Nitryl Halide Dimers.
ChemPhysChem 2022,
24(7).
311.
Yaqian Wang; Rui-Jing Wang; Qingzhong Li*; Zhi‐Wu Yu*, Abnormalities of the Halogen Bonds in the Complexes between Y2CTe (Y = H, F, CH3) and XF (X = F, Cl, Br, I).
Molecules 2022,
27(23),
8523-8523.
312.
Surajit Metya; Aloke Das*, S–H···O Hydrogen Bond Can Win over O–H···S Hydrogen Bond: Gas-Phase Spectroscopy of 2-Fluorothiophenol···H2O Complex.
The Journal of Physical Chemistry A 2022,
126(49),
9178-9189.
313.
Jianwei Xi; Elvis Wang Hei Ng; Chun‐Yu Ho*, Unsymmetric N-Aryl Substituent Effects on Chiral NHC-Cu: Enantioselectivity and Reactivity Enhancement by Ortho-H and Syn-Configuration.
ACS Catalysis 2022,
13(1),
407-421.
314.
Jiayao Li; Changwei Wang*; Yirong Mo*, Selectivity Rule of Cryptands for Anions: Molecular Rigidity and Bonding Site.
Chemistry - A European Journal 2022,
29(16).
315.
Yuhan Jia; Lijun Geng; Hanyu Zhang; Zhixun Luo, Dramatic Size‐dependence of Rhn+ Clusters in Reacting with Small Hydrocarbons: Rh3+ Cluster Catalysis for Dehydrogenation.
ChemistrySelect 2022,
7(45).
316.
Dmitri G. Fedorov*, Parametrized quantum-mechanical approaches combined with the fragment molecular orbital method.
The Journal of Chemical Physics 2022,
157(23).
317.
Chen Zhou; Fuming Ying; Wei Wu; Peifeng Su, Valence Bond Methods for Molecules in Solution.
Elsevier eBooks 2022.
403-423.
318.
Mukesh Chourasia; Todd Cowen; Aviva Ezra; Eden Rubanovich; Avital Shurki, The effect of immediate environment on bond strength of different bond types—A valence bond study.
The Journal of Chemical Physics 2022,
157(24).
319.
Graham D. Fletcher*, Variational Subspace Valence Bond.
Elsevier eBooks 2022.
424-440.
320.
Chenru Ji; Fuming Ying; Peifeng Su; Chen Zhou*; Wei Wu*, Implementation of molecular symmetry in valence bond calculation.
Journal of the Chinese Chemical Society 2022,
70(3),
341-348.