Papers citing XMVB
681. Zhen Tang; Yanlin Song; Shu Zhang; Wei Wang; Yuan Xu; Di Wu; Wei Wu; Peifeng Su, XEDA, a fast and multipurpose energy decomposition analysis program. Journal of Computational Chemistry 2021, 42(32), 2341-2351.
682. Ming Zhong; Hong Fang; Deepika; Puru Jena, Super-electrophiles of tri- and tetra-anions stabilized by selected terminal groups and their role in binding noble gas atoms. Physical Chemistry Chemical Physics 2021, 23(38), 21496-21500.
683. Nandan Kumar; Y. Bhargav Kumar; Himakshi Sarma; G. Narahari Sastry, Fate of Sc-Ion Interaction With Water: A Computational Study to Address Splitting Water Versus Solvating Sc Ion. Frontiers in Chemistry 2021.
684. Sason Shaik; David Danovich; Philippe C. Hiberty, Valence Bond Theory—Its Birth, Struggles with Molecular Orbital Theory, Its Present State and Future Prospects. Molecules 2021, 26(6), 1624-1624.
685. Chuan-Kai Tang; Ya-Zhou Li; Fang Ma; Zexing Cao; Yirong Mo, Anti-Electrostatic Main Group Metal–Metal Bonds That Activate CO2. The Journal of Physical Chemistry Letters 2021, 12(31), 7545-7552.
686. Dezhi Yang; Hongjuan Wang; Qiwen Liu; Penghui Yuan; Ting Chen; Li Zhang; Shiying Yang; Zhengzheng Zhou; Yang Lü; Guanhua Du, Structural landscape on a series of rhein: Berberine cocrystal salt solvates: The formation, dissolution elucidation from experimental and theoretical investigations. Chinese Chemical Letters 2021, 33(6), 3207-3211.
687. Camilla Soares; Anna R. Ley; Brittany C. Zehner; Patrick W. Treacy; J. A. Phillips, Matrix effects on hydrogen bonding and proton transfer in fluoropyridine – HCl complexes. Physical Chemistry Chemical Physics 2021, 24(4), 2371-2386.
688. Leonard Reuter; Arne Lüchow, Real space electron delocalization, resonance, and aromaticity in chemistry. Nature Communications 2021, 12(1).
689. Rafał Wysokiński; Wiktor Zierkiewicz; Mariusz Michalczyk; Steve Scheiner, Anion⋯anion (MX3−)2 dimers (M = Zn, Cd, Hg; X = Cl, Br, I) in different environments. Physical Chemistry Chemical Physics 2021, 23(25), 13853-13861.
690. Taewon David Kim; Ramón Alain Miranda‐Quintana; M. G. Richer; Paul W. Ayers, Flexible ansatz for N-body Configuration Interaction. arXiv (Cornell University) 2021.
691. Fernando P. Cossío, Aromaticity in molecules and transition structures: from atomic and molecular orbitals to simple ring current models. Elsevier eBooks 2021. 1-41.
692. Ran Friedman, Preferential Binding of Lanthanides to Methanol Dehydrogenase Evaluated with Density Functional Theory. The Journal of Physical Chemistry B 2021, 125(9), 2251-2257.
693. Na Liu; Qingzhong Li, Group 12 Carbonates and their Binary Complexes with Nitrogen Bases and FH2Z Molecules (Z=P, As, Sb): Synergism in Forming Ternary Complexes. ChemPhysChem 2021, 22(16), 1698-1705.
694. Na Liu; Xiaoying Xie; Qingzhong Li; Steve Scheiner, Enhancement of the Tetrel Bond by the Effects of Substituents, Cooperativity, and Electric Field: Transition from Noncovalent to Covalent Bond. ChemPhysChem 2021, 22(22), 2305-2312.
695. Caio Lima Firme, Local potential energy density model (LPE): Applications and limitations to quantify intra/intermolecular interactions. Computational and Theoretical Chemistry 2021. 113143-113143.
696. André Nicolai Petelski; Josefina Marquez; Silvana Carina Pamies; Gladis L. Sosa; Nélida M. Peruchena, Understanding the Chloride Affinity of Barbiturates for Anion Receptor Design. ChemPhysChem 2021, 22(7), 665-674.
697. Jennifer A. Clark; Erik E. Santiso, SAFT-γ-Mie Cross-Interaction Parameters from Density Functional Theory-Predicted Multipoles of Molecular Fragments for Carbon Dioxide, Benzene, Alkanes, and Water. The Journal of Physical Chemistry B 2021, 125(15), 3867-3882.
698. Peter R. Spackman; Michael J. Turner; Joshua J. McKinnon; Stephen K. Wolff; Daniel J. Grimwood; Dylan Jayatilaka; Mark A. Spackman, CrystalExplorer: a program for Hirshfeld surface analysis, visualization and quantitative analysis of molecular crystals. Journal of Applied Crystallography 2021, 54(3), 1006-1011.
699. Hailiang Zhao; Zhenjun Wu; Yaming Sun; Song Xue; Fan Shi; Yingming Zhang; Xia Sheng, Study of the Interactions between MeOH and Daidzein at the Molecular Level. ACS Omega 2021, 6(33), 21491-21498.
700. Anna Grabarz; Mariusz Michalczyk; Wiktor Zierkiewicz; Steve Scheiner, Anion–Anion Interactions in Aerogen-Bonded Complexes. Influence of Solvent Environment. Molecules 2021, 26(8), 2116-2116.