Papers citing XMVB
301. Yue Yang; Jialing Yu; Xiankai Jiang; Keqiang Lai; Junjian Miao, Insight into the interaction between amino acids and SO2: Detailed bonding modes. Journal of Molecular Modeling 2024, 30(8).
302. Jing Wang; Lei Zhuang; Enze Gao; Heng Zhang; Jianguo Wan; Chuanfu Huang, Dissociation of HBr in Water Clusters Based on a Hybrid Density Functional Approach. The Journal of Physical Chemistry A 2024, 128(35), 7364-7374.
303. Iulia-Andreea Aghion; Raluca Şeptelean; Alex-Cristian Tomut; Ionuţ‐Tudor Moraru; Albert Soran; Gabriela Nemeş, Coordination Ability of Phosphavinyl(oxo and thioxo)phosphoranes (P═C–P═X; X = O, S) toward Transition Metals. Organometallics 2024, 43(18), 2062-2076.
304. Dong‐Ping Chen; Wen Ma; Ming Li; Zhao‐Zhen Zhou; Yang Zhang; Xi‐Cun Wang; Zheng‐Jun Quan; Wang Wenliang, Atmospheric implications of hydrogen bonding between methanesulfonic acid and 12 kinds of N-containing compounds. Computational and Theoretical Chemistry 2024. 114879-114879.
305. Erik Lindahl, Computational Chemistry Methods in Cancer Treatment: A Molecular Perspective. 2024.
306. Khadija Rizwan; John Morrison Galbraith, Covalent vs. Dative Bonding in Carbon Monoxide and Other 10-Valence-Electron Diatomics. Molecules 2024, 29(22), 5396-5396.
307. Nihad Mekarba; Ferial Krid; Youghourta Belhocine; Abdelaziz Bouhadiba; Seyfeddine Rahali; Francisxavier Paularokiadoss; Ridha Ben Said; Najoua Sbei; Mahamadou Seydou, Unraveling boric acid interactions with macrocyclic hosts: DFT insights into the key role of hydrogen bonding in complex stabilization. Theoretical Chemistry Accounts 2024, 144(1).
308. Sneha Anna Sunny; A. S. Prakash; Rafa Almeer; Renjith Thomas, Mapping the Interaction Landscape of Adenosine and Minoxidil Sulfate Using an Independent Gradient Model Based on Hirshfeld Partition and Interaction Region Indicator. The Journal of Physical Chemistry B 2024.
309. Yuxuan Li; Yeyu Su; Haoyu Wang; Yuanzhe Xie; Xin Wang; Liying Chang; Yanbo Jing; Jiayi Zhang; Jun‐An Ma; Hongwei Jin; Xiaoding Lou; Qian Peng; Tao Liu, Computation-Guided Discovery of Diazole Monosubstituted Tetrazines as Optimal Bioorthogonal Tools. Journal of the American Chemical Society 2024, 146(39), 26884-26896.
310. Chen Zhou; Fuming Ying; Wei Wu, Chemical Concepts from Ab Initio Valence Bond Theory. 2024. 23-42.
311. Jason Shearer; David K. Wilson, Nature of the Nickel-Halogen Bond in NiX+ Compounds (X = F, Cl, Br, I): A Multireference Configuration Interaction and Ab Initio Valence Bond Study. Inorganic Chemistry 2024.
312. Rui Lai; Guohui Li; Qiang Cui, Flexibility of Binding Site is Essential to the Ca2+ Selectivity in EF-Hand Calcium-Binding Proteins. Journal of the American Chemical Society 2024, 146(11), 7628-7639.
313. Chenyang Wang; Lin Zheng; Chibuike C. Udenigwe; Lianzhu Lin; Mouming Zhao, Molecular Mechanistic Insights into Dipeptidyl Peptidase-IV Inhibitory Peptides to Decipher the Structural Basis of Activity. Journal of Agricultural and Food Chemistry 2024, 72(19), 11230-11240.
314. Sneha Anna Sunny; A. S. Prakash; Rafa Almeer; Renjith Thomas, Mapping the Interaction Landscape of Adenosine and Minoxidil Sulfate Using an Independent Gradient Model Based on Hirshfeld Partition and Interaction Region Indicator. The Journal of Physical Chemistry B 2024.
315. Yin Zhu; Zhikai Cao; Liming Che; Haiqiang Lin; Quancong Zhang; Hua Zhou, A pioneering study on EDOT recovery from the PEDOT wastewater: Integration of COSMO-SAC prediction, experiment, and process simulation. Journal of Cleaner Production 2024. 142082-142082.
316. Yueyang Zhang; L. Yan; Wei Wu; Peifeng Su, Energy decomposition analysis method using density matrix formulation. The Journal of Chemical Physics 2024, 160(17).
317. Xuhui Lin; Xiao-Li Lu; Shenghui Tang; Wei Wu; Yirong Mo, Multiconfigurational actinide nitrides assisted by double Möbius aromaticity. Chemical Science 2024, 15(21), 8216-8226.
318. Peifeng Su, Energy Decomposition Analysis and Its Applications. 2024. 433-454.
319. Eugene A. Katlenok; Anton V. Rozhkov; Maxim L. Kuznetsov; Vitalii V. Suslonov; Vadim Yu. Kukushkin, Dichotomy of π-stacking-directing noncovalent forces in organic–inorganic planar assemblies: the case of halo-substituted benzoquinones π-stacked with a platinum(ii) square-plane. Inorganic Chemistry Frontiers 2024, 11(4), 1252-1265.
320. David Danovich; Alexandre Tkatchenko; Santiago Álvarez; Sason Shaik, A Gravitational-like Relationship of Dispersion Interactions is Exhibited by 40 Pairs of Molecules and Noble Gas Atoms. Journal of the American Chemical Society 2024, 146(45), 31198-31204.