Papers citing XMVB
261. K.J. Rajimon; Hamed A. El‐Serehy; Neha Kannan; Renjith Thomas, Comprehensive Assessment of Schiff Base Derived from 4-Chloroaniline and 2-Formylphenol: Molecular Architecture, Experimental with Computational Bioactivity Profiling, Emphasizing Anticancer Efficacy Against Pulmonary and Mammary Carcinoma Cell Models. Journal of Molecular Structure 2024. 140590-140590.
262. Binod Kumar Oram; Monu Monu; Anjana Kothari; Biman Bandyopadhyay, Competition between C−H‧‧‧S and S–H‧‧‧Cl H-bonds in CHCl3-H2S complex: A combined matrix isolation IR spectroscopic and quantum chemical investigation. Physical Chemistry Chemical Physics 2024.
263. Preethanuj Preethalayam; Juan Carlos Roldao; Frédéric Castet; David Casanova; Slavko Radenković; Henrik Ottosson, 3,4‐Dimethylenecyclobutene: A Building Block for Design of Macrocycles with Excited State Aromatic Low‐Lying High‐Spin States. Chemistry - A European Journal 2024, 30(27).
264. Michel V. Heinz; Leonard Reuter; Arne Lüchow, Identifying a real space measure of charge-shift bonding with probability density analysis. Chemical Science 2024, 15(23), 8820-8827.
265. 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. 2024.
266. Saeedreza Emamian; M. Salami; Seyed Javad Hosseini, Shedding light on the strength, nature, and cooperativity/anti-cooperativity between intermolecular H…N hydrogen and Cl…C halogen bonds in the competitive binary and ternary complexes. Computational and Theoretical Chemistry 2024. 114603-114603.
267. 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.
268. Lorenzo Baldinelli; Filippo De Angelis; Giovanni Bistoni, Unraveling Atomic Contributions to the London Dispersion Energy: Insights into Molecular Recognition and Reactivity. Journal of Chemical Theory and Computation 2024, 20(5), 1923-1931.
269. Maxime Ferrer; Ibón Alkorta; José Elguero; Julio R. Barrios‐Llacuachaqui; William Tiznado; Josep M. Oliva, Striking Borane Planarization in the Thermal Rearrangement (η5‐C5H5)Fe(η3‐B5H10)→(η5‐C5H5)Fe(η5‐B5H10). Chemistry - A European Journal 2024, 30(40).
270. Enhua Zhang; Hajime Hirao, Synergistic Charge Transfer Effect in Ferrous Heme–CO Bonding within Cytochrome P450. Molecules 2024, 29(4), 873-873.
271. 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.
272. 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.
273. Kasimir P. Gregory; Erica J. Wanless; Grant B. Webber; Vincent S. J. Craig; Alister J. Page, A First-Principles Alternative to Empirical Solvent Parameters. Physical Chemistry Chemical Physics 2024, 26(31), 20750-20759.
274. 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).
275. Tommaso Giovannini, Kohn–Sham fragment energy decomposition analysis. The Journal of Chemical Physics 2024, 161(10).
276. 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.
277. Agnieszka Krzemińska; Małgorzata Biczysko; Katarzyna Pernal; Michał Hapka, Anisole–Water and Anisole–Ammonia Complexes in Ground and Excited (S1) States: A Multiconfigurational Symmetry-Adapted Perturbation Theory (SAPT) Study. The Journal of Physical Chemistry A 2024.
278. 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.
279. 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.
280. Manuel Yáñez; Otília Mó; M. Merced Montero‐Campillo; Ibón Alkorta; José Elguero, Unexpected Enhanced acidity of Diborane-Nitrogen Base complexes. Chemical Physics Letters 2024. 141782-141782.