581.
Xuhui Lin; Yirong Mo, Partial Double Metal–Carbon Bonding Model in Transition Metal Methyl Compounds.
Inorganic Chemistry 2022,
61(6),
2892-2902.
582.
Paul A. Johnson; Paul W. Ayers; Stijn De Baerdemacker; Peter A. Limacher; Dimitri Van Neck, Bivariational principle for an antisymmetrized product of nonorthogonal geminals appropriate for strong electron correlation.
Computational and Theoretical Chemistry 2022.
113718-113718.
583.
Lili Zhao; Sudip Pan; Gernot Frenking, The nature of the polar covalent bond.
The Journal of Chemical Physics 2022,
157(3).
584.
Ahmad El Askary; Basem H. Elesawy; Nasser S. Awwad; Hala A. Ibrahium; Mohd. Shkir, Different metal-decorated aluminum phosphide nanotubes as hydrazine sensors for biomedical applications.
Journal of Molecular Modeling 2022,
28(5).
585.
Masoome Sadeghi; Asal Yousefi Siavoshani; Mahdiye Bazargani; Abduladheem Turki Jalil; Mojtaba Ramezani; Mohammad Reza Poor Heravi, Dichlorosilane adsorption on the Al, Ga, and Zn-doped fullerenes.
Monatshefte für Chemie - Chemical Monthly 2022,
153(5-6),
427-434.
586.
A.A. Menazea; Nasser S. Awwad; Hala A. Ibrahium; M. Derakh; Mohammed S. Alqahtani, DNA Nucleobase Interaction with Silicon Carbide Nanosheet.
Silicon 2022,
14(17),
11355-11362.
587.
Barbaro Zulueta; Sonia Tulyani; Phillip R. Westmoreland; Michael J. Frisch; E. James Petersson; George A. Petersson; John A. Keith, A Bond-Energy/Bond-Order and Populations Relationship.
2022.
588.
Peikun Zheng; Zixi Gan; Chen Zhou; Peifeng Su; Wei Wu, λ-DFVB(U): A hybrid density functional valence bond method based on unpaired electron density.
The Journal of Chemical Physics 2022,
156(20).
589.
Daichi Hayakawa; Nanako Terauchi; Aika Iwasaki; Yurie Watanabe; Hiroaki Gouda, Systematic preparation method of a molecular model explicitly describing electron distributions for halogen bonds.
Chemical Physics Letters 2022.
139754-139754.
590.
Binod Kumar Oram; Saptarshi Sarkar; Monu Monu; Biman Bandyopadhyay, A comparative study of the potential energy surfaces of (CO)2, CO-CS and (CS)2.
Computational and Theoretical Chemistry 2022.
113849-113849.
591.
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).
592.
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.
593.
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).
594.
Dajiang Huang; Fuming Ying; SF Chen; Chen Zhou; Peifeng Su; Wei Wu, Metal–Ligand Bonds in Rare Earth Metal–Biphenyl Complexes.
Inorganic Chemistry 2022,
61(21),
8135-8143.
595.
Slađana Đorđević; Slavko Radenković, Spatial and Electronic Structures of BeB8 and MgB8: How far Does the Analogy Go?.
ChemPhysChem 2022,
23(8).
596.
Dajiang Huang; Fuming Ying; SF Chen; Chen Zhou; Peifeng Su; Wei Wu, Metal–Ligand Bonds in Rare Earth Metal–Biphenyl Complexes.
Inorganic Chemistry 2022,
61(21),
8135-8143.
597.
Meng Gao; Qibo Zhao; Hao Yu; Min Fu; Qingzhong Li, Insight into Spodium–π Bonding Characteristics of the MX2⋯π (M = Zn, Cd and Hg; X = Cl, Br and I) Complexes—A Theoretical Study.
Molecules 2022,
27(9),
2885-2885.
598.
Yuan Xu; Shu Zhang; Erik Lindahl; Ran Friedman; Wei Wu; Peifeng Su, A general tight-binding based energy decomposition analysis scheme for intermolecular interactions in large molecules.
The Journal of Chemical Physics 2022,
157(3).
599.
Jorge Escorihuela; Lawrence M. Wolf, Computational Study on the Co-Mediated Intramolecular Pauson–Khand Reaction of Fluorinated and Chiral N-Tethered 1,7-Enynes.
Organometallics 2022,
41(18),
2525-2534.
600.
Qiaozhuo Wu; Xiaoying Xie; Qingzhong Li; Steve Scheiner, Enhancement of tetrel bond involving tetrazole-TtR3(Tt = C, Si; R = H, F). Promotion of SiR3transfer by a triel bond.
Physical Chemistry Chemical Physics 2022,
24(42),
25895-25903.