Papers citing XMVB
221. Xuewei Xiong; Ran Friedman; Wei Wu; Peifeng Su, QM/MM-Based Energy Decomposition Analysis Method for Large Systems. The Journal of Physical Chemistry A 2024, 128(18), 3529-3538.
222. Lili Zhang; Zixuan Shen; Yanli Zeng; Xiaoyan Li; Xueying Zhang, Insight into the Metal-Involving Chalcogen Bond in the PdII/PtII-Based Complexes: Comparison with the Conventional Chalcogen Bond. The Journal of Physical Chemistry A 2024, 128(28), 5567-5577.
223. Peifeng Su, Energy Decomposition Analysis and Its Applications. 2024. 433-454.
224. Xin Wang; Zhihao Niu; Qingzhong Li; Steve Scheiner, Strong Triel Bonds with Be as Electron Donor. Inorganic Chemistry 2024.
225. Xun Wu; Chan Cao; Chen Zhou; Wei Wu, Hybrid Density Functional Valence Bond Method with Multistate Treatment. Journal of Chemical Theory and Computation 2024, 20(3), 1157-1168.
226. Enhua Zhang; Hajime Hirao, Synergistic Charge Transfer Effect in Ferrous Heme–CO Bonding within Cytochrome P450. Molecules 2024, 29(4), 873-873.
227. Yueyang Zhang; L. Yan; Wei Wu; Peifeng Su, Energy decomposition analysis method using density matrix formulation. The Journal of Chemical Physics 2024, 160(17).
228. Zhen Tang; Zhu Hong; Zhijun Pan; Jiali Gao; Jun Zhang, Many-Body Energy Decomposition Analysis (MB-EDA) Scheme based on Target State Optimization Self-Consistent Field (TSO-SCF) Method. Physical Chemistry Chemical Physics 2024, 26(25), 17549-17560.
229. Kahkasha Parveen; Srimanta Pakhira, Designing of Organic Bridging Linkers of Metal-Organic Frameworks for Enhanced Carbon Dioxide Adsorption. New Journal of Chemistry 2024.
230. Erik Lindahl; Erik Arvidsson; Ran Friedman, Trans vs Cis: A Computational Study of Enasidenib Resistance due to IDH2 Mutations. Physical Chemistry Chemical Physics 2024, 26(27), 18989-18996.
231. Yueyang Zhang; Xuewei Xiong; Wei Wu; Peifeng Su, Real-space energy decomposition analysis method for qualitative and quantitative interpretations. The Journal of Chemical Physics 2024, 161(8).
232. Yang Xu; Chang Zhao; Cuihong Sun; Yanli Zeng, Carbon–Bromide Bond Activation by Bidentate Halogen, Chalcogen, Pnicogen, and Tetrel Bonds. The Journal of Physical Chemistry A 2024.
233. Shailja Jain; David Danovich; Slavko Radenković; Sason Shaik, Unraveling the Bonding and Aromaticity of Pentazole, Pentaphosphole, and Cyclopentadiene Anions: A Comprehensive Study. Journal of the American Chemical Society 2024.
234. Shiping Chen; Fuming Ying; Wei Wu; Peifeng Su, Energy Decomposition Analysis Method Based on the Constrained Active Space Unrestricted Mean-Field Method. The Journal of Physical Chemistry A 2024.
235. Longlong Liu; Kun Jiang; Qingjun Chen; Lei Liu, On the Diffusion of Ionic Liquids in ILs@ZIF-8 Composite Materials: A Density Functional Theory Study. Molecules 2024, 29(8), 1697-1697.
236. Mercedes Kukułka; Olga Żurowska; Mariusz P. Mitoraj; Artur Michalak, ETS-NOCV description of chemical bonding: from covalent bonds to non-covalent interactions. Journal of Molecular Modeling 2024, 31(1).
237. Dilawar Singh Sisodiya; Anjan Chattopadhyay, The photochemical trans → cis and thermal cis → trans isomerization pathways of azobenzo-13-crown ether: A computational study on a strained cyclic azobenzene system. The Journal of Chemical Physics 2024, 161(3).
238. Forough Rezaie; Siamak Noorizadeh, Strong Be–Be Covalent Bond in Be2L2 and Na2Be2L2 Molecules with Cyano-Based Ligands. Organometallics 2024, 43(4), 515-525.
239. Zahra Badri; Cina Foroutan‐Nejad, On the aromaticity of actinide compounds. Nature Reviews Chemistry 2024, 8(7), 551-560.
240. Xinru Peng; Jiayao Li; Jing‐Shuang Dang; Shiwei Yin; Hengyan Zheng; Changwei Wang; Yirong Mo, Conformational Preference of Lithium Polysulfide Clusters Li2Sx (x = 4–8) in Lithium–Sulfur Batteries. Inorganic Chemistry 2024, 63(10), 4716-4724.