Papers citing XMVB
21. Mooibroek, T. J, DFT and IsoStar Analyses to Assess the Utility of sigma- and pi-Hole Interactions for Crystal Engineering. Chemphyschem 2021, 22(2), 141-153.
22. Mishra, K. K.; Borish, K.; Singh, G.; Panwaria, P.; Metya, S.; Madhusudhan, M. S.; Das, A, Observation of an Unusually Large IR Red-Shift in an Unconventional S-H center dot center dot center dot S Hydrogen-Bond. Journal of Physical Chemistry Letters 2021, 12(4), 1228-1235.
23. Miranda, M. O.; Duarte, D. J. R, Halogen Bonds Stabilised by an Electronic Exchange Channel. Chemistryselect 2021, 6(4), 680-684.
24. Mao, Y.; Loipersberger, M.; Kron, K. J.; Derrick, J. S.; Chang, C. J.; Sharada, S. M.; Head-Gordon, M, Consistent inclusion of continuum solvation in energy decomposition analysis: theory and application to molecular CO2 reduction catalysts. Chemical Science 2021, 12(4), 1398-1414.
25. MacLeod Carey, D.; Rodriguez-Kessler, P. L.; Munoz-Castro, A, VisualizingNMR-shielding effect infullerene-ZnPcaggregates: Characteristic patterns ofZnP-basedhosts and encapsulation nature fromDFTcalculations. International Journal of Quantum Chemistry 2021, 121(5).
26. Liu, N.; Liu, J.; Li, Q.; Scheiner, S, Noncovalent bond between tetrel pi-hole and hydride. Physical Chemistry Chemical Physics 2021, 23(17), 10536-10544.
27. Liu, N.; Li, Q, Group 12 Carbonates and their Binary Complexes with Nitrogen Bases and FH(2)Z Molecules (Z=P, As, Sb): Synergism in Forming Ternary Complexes. Chemphyschem 2021.
28. Liu, N.; Li, Q, Can metal halides be electron donors in sigma-hole and pi-hole tetrel bonds? Cooperativity with an alkaline-earth bond. International Journal of Quantum Chemistry 2021.
29. Kumar, N.; Saha, S.; Sastry, G. N, Towards developing a criterion to characterize non-covalent bonds: a quantum mechanical study dagger. Physical Chemistry Chemical Physics 2021, 23(14), 8478-8488.
30. Korivand, M.; Zamani, M, Surface modification of graphene by coupling with electron deficient radicals. Journal of Solid State Chemistry 2021.
31. Johansson, M. P.; Niederegger, L.; Rauhalahti, M.; Hess, C. R.; Kaila, V. R. I, Dispersion forces drive water oxidation in molecular ruthenium catalysts. Rsc Advances 2021, 11(1), 425-432.
32. Iribarren, I.; Sanchez-Sanz, G.; Alkorta, I.; Elguero, J.; Trujillo, C, Evaluation of Electron Density Shifts in Noncovalent Interactions. Journal of Physical Chemistry A 2021, 125(22), 4741-4749.
33. Inscoe, B.; Rathnayake, H.; Mo, Y, Role of Charge Transfer in Halogen Bonding. Journal of Physical Chemistry A 2021, 125(14), 2944-2953.
34. Grabarz, A.; Michalczyk, M.; Zierkiewicz, W.; Scheiner, S, Anion-Anion Interactions in Aerogen-Bonded Complexes. Influence of Solvent Environment. Molecules 2021, 26(8).
35. Giovannini, T.; Koch, H, Energy-Based Molecular Orbital Localization in a Specific Spatial Region. Journal of Chemical Theory and Computation 2021, 17(1), 139-150.
36. Gao, J.; Ma, C.; Kumar, A, Au-decorated semiconducting AlN nanosheet as an electronic sensor for theophylline drug. Molecular Simulation 2021, 47(6), 500-509.
37. Fu, X.; Wen, P.; Tang, C.; Huang, Z.; Aslanzadeh, S. A, The interaction of nucleobases with an AlN nanotube for electronic DNA sequencing. Journal of Computational Electronics 2021, 20(3), 1096-1104.
38. Friedman, R, Preferential Binding of Lanthanides to Methanol Dehydrogenase Evaluated with Density Functional Theory. Journal of Physical Chemistry B 2021, 125(9), 2251-2257.
39. Fojcik, L.; Latajka, Z, The nature of halogen bond in model OC center dot center dot center dot XY systems from the energy decomposition analysis perspective. Computational and Theoretical Chemistry 2021.
40. Firme, C. L, Local potential energy density model (LPE): Applications and limitations to quantify intra/intermolecular interactions. Computational and Theoretical Chemistry 2021.