Papers citing XMVB
41. Hangjing Zheng; Huizhu Zhang; T.-Y. Chen; Wei Wu; Zhenhua Chen, Effective Two-State Model Based on Adiabatic-to-Diabatic Transformation. The Journal of Physical Chemistry A 2025.
42. Lin‐Yan Bao; Rong-Wan Gao; Bo Zhu; Zhong‐Min Su; Wei Guan, A nickel-catalysed radical mechanism by three-component dimensionality reduction strategies: a theoretical study. Chemical Science 2025, 16(28), 12982-12993.
43. Chen Zhou; Xun Wu; Fuming Ying; Wei Wu, Ab Initio Valence Bond Theory for Strongly Correlated Systems. Journal of Chemical Theory and Computation 2025, 21(13), 6243-6257.
44. Hajime Hirao; Dongxiao Yue; Songyan Xia; Enhua Zhang; Honghui Zhang; Junfang Yan; Ziqing Xiao, Computational studies on human cytochrome P450: advancing insights into drug metabolism. Trends in Chemistry 2025, 7(7), 358-371.
45. Huaiyu Zhang; Jia Wei; Rui Ma; Jinshuai Song; Wei Wu; Yirong Mo, Abnormally Long O–O Bond in trans-HOON: An Exemplary Charge-Shift Bond. The Journal of Physical Chemistry A 2025.
46. Xin-Meng Liu; Dong‐Xia Zhao; Zhong‐Zhi Yang, Transition from Noncovalent Interaction to Covalent Bond Based on One-Electron Potential, Quantum Chemical Topology, and Molecular Face Theory. The Journal of Physical Chemistry A 2025.
47. Vishikh Athavale; Joseph E. Subotnik; Tian Qiu, Evaluating the gradients of localized diabatic state energies and couplings at minimum cost. The Journal of Chemical Physics 2025, 163(2).
48. Pengwei Fang; Zhengming Yang; Qun Zhang; Hongwei Yu; Fei Feng; Yidi Wan; Jiangfei Wei; Yuhao Mei; Meiwen Cao, Chemically Enhanced Water-Alternating-Gas Injection for Improved CO2 Sweep Efficiency and Geological Sequestration in CO2-EOR: Insights from Physical Experiments and Molecular Simulation. Results in Engineering 2025. 106239-106239.
49. Stefano Borocci; Felice Grandinetti; Nico Sanna; Costantino Zazza, Assaying the nature of the chemical bond by visualizing and counting the electrons with negative energies. The Journal of Chemical Physics 2025, 163(3).
50. Jiajia Ma; Dong-Yi Xiao; Xinxin Liu; Ling‐Ya Peng; Fang Qiu; Wei‐Hai Fang; Ganglong Cui, Photocatalytic Mechanism of Azidoarylation of Alkenes by a Cu(I) Complex: Open-Shell Singlet Is Preferred over Triplet. ACS Catalysis 2025. 13645-13656.
51. Yang Zhang; Jiao Li; Guoxia Gou; Ran Wei; Dong‐Ping Chen; Peifeng Su; Wei Wu, Valence Bond Wave-Function-Based Automatic Diabatization Approach. The Journal of Physical Chemistry Letters 2025, 16(31), 7921-7928.
52. Zijing Wu; Peifeng Su, GKS-EDA Method for Intermolecular Interactions in Complex Systems. Structure and bonding 2025.
53. Peikun Zheng; Fuming Ying; Wei Wu; Chen Zhou, Symmetric Group Semiempirical Valence Bond Method for Large Conjugated Molecules. Journal of Chemical Theory and Computation 2025.
54. Seyfeddine Rahali; Abdallah Zaiter; Ridha Ben Said; Samir Kenouche; Youghourta Belhocine; Abdulrahman Mohammed Alhudhaibi; Mahamadou Seydou; Laila S. Alqarni, DFT Insights into the Be12O12 Nanocage as a Promising Nanomaterial for Amino Acid Detection. Journal of Cluster Science 2025, 36(4).
55. Viraj De Silva; Anh Tran; Wei Wu; Борис Б. Аверкиев; Ping Li; Emilie B. Guidez; Christer B. Aakeröy, From Tunable Chalcogen Bonding to Enhanced Chemotherapeutic Properties. Crystal Growth & Design 2025, 25(15), 6075-6084.
56. , Aromaticity of singlet and triplet states of sandwich-like alkaline earth metal-doped boron clusters. Advances in inorganic chemistry 2025.
57. Jinqiang Liu; Yu Zhang; Weizhou Wang*, Trifurcated Chalcogen Bond: Design and Synthesis. The Journal of Physical Chemistry A 2025.
58. Anjana Kothari; Monu Monu; Binod Kumar Oram; Biman Bandyopadhyay, Dispersion-Dominated S–H···Se H-Bonds in the Dimethyl Selenide–H2S Complex Identified in a Nitrogen Matrix: Cooperative Strengthening by Molecular Nitrogen. The Journal of Physical Chemistry A 2025.
59. Jiamin Jin; Zexing Qu; Chungen Liu, A direct diabatic states construction method with consistent orbitals for valence and Rydberg states. The Journal of Chemical Physics 2025, 163(6).
60. Marija Baranac‐Stojanović*, Aromaticity and Antiaromaticity: How to Define Them. Chemistry 2025, 7(4), 127-127.