Papers citing XMVB
341. Graziela N. Radael; Vinícius Martinelli; Rodrigo M. Pontes, The ethanol–metal interaction in bimetallic clusters of Pt and Rh. Theoretical Chemistry Accounts 2022, 141(3).
342. Wan‐Lu Li; Hongxia Hao; Teresa Head‐Gordon*, Optimizing the Solvent Reorganization Free Energy by Metal Substitution for Nanocage Catalysis. ACS Catalysis 2022, 12(7), 3782-3788.
343. Yongshun Song; Jing Zhan; Minyue Li; Hongwei Zhao; Guosheng Shi; Minghong Wu*; Haiping Fang*, Enhancement of the Water Affinity of Histidine by Zinc and Copper Ions. International Journal of Molecular Sciences 2022, 23(7), 3957-3957.
344. Thijs Stuyver; Sason Shaik, Bridging Conceptual Density Functional and Valence Bond Theories. 2022. 391-415.
345. André Nicolai Petelski*; Silvana Carina Pamies; María Josefina Verónica Márquez; Gladis L. Sosa; Nélida M. Peruchena*, Impact of Covalent Modifications on the Hydrogen Bond Strengths in Diaminotriazine Supramolecules. ChemPhysChem 2022, 23(13).
346. Sergey V. Baykov*; Marina V. Tarasenko; Artem V. Semenov; Eugene A. Katlenok; Антон А. Шетнев; Vadim P. Boyarskiy, Dualism of 1,2,4-oxadiazole ring in noncovalent interactions with carboxylic group. Journal of Molecular Structure 2022. 132974-132974.
347. Dmitri G. Fedorov*, Polarization energies in the fragment molecular orbital method. Journal of Computational Chemistry 2022, 43(16), 1094-1103.
348. Rafał Wysokiński*; Wiktor Zierkiewicz*; Mariusz Michalczyk; Steve Scheiner, Competition between Intra and Intermolecular Pnicogen Bonds: Complexes between Naphthalene Derivatives and Neutral or Anionic Bases. ChemPhysChem 2022, 23(11).
349. Adam Grofe; Xiaosong Li*, Relativistic nonorthogonal configuration interaction: application to L2,3-edge X-ray spectroscopy. Physical Chemistry Chemical Physics 2022, 24(18), 10745-10756.
350. Yang Zhang; Xun Wu; Peifeng Su; Wei Wu, Exploring the nature of electron-pair bonds: an energy decomposition analysis perspective. Journal of Physics Condensed Matter 2022, 34(29), 294004-294004.
351. Sujun Ji; Zhiling Ding; Yin Hang; Daoyuan Zheng; Jinfeng Zhao, Theoretical study on Xe⋯N non-covalent interactions: Three hybridization N with XeO3 and XeOF2. Chinese Journal of Chemical Physics 2022, 35(2), 322-330.
352. Yang Liu; Xinrui Cao*; Shu Zhang; Jingyuan Cao; Anrui Zhang; Sai Zhang; Peifeng Su; Yuejie Ai*, High-efficiency and selective capture of nitric oxide by fluorine-modified carbon nitride: A DFT investigation. Applied Surface Science 2022. 153353-153353.
353. 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).
354. Sabyasachi Chakraborty; Kalyaneswar Mandal; Raghunathan Ramakrishnan, Understanding the role of intramolecular ion-pair interactions in conformational stability using an ab initio thermodynamic cycle. arXiv (Cornell University) 2022.
355. 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).
356. 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.
357. 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.
358. Padeleimon Karafiloglou; Katerina Kyriakidou, A Bridge Between MO And VB: The VB Description Of Functional Groups Inside Molecules By Means Of Poly-Electron Population Analysis. Elsevier eBooks 2022. 625-641.
359. 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.
360. Shuyang Liu; Hajime Hirao, Energy Decomposition Analysis of the Nature of Coordination Bonding at the Heme Iron Center in Cytochrome P450 Inhibition. Chemistry - An Asian Journal 2022, 17(13).