Papers citing XMVB
241. Farrokhpour, H.; Ghandehari, M.; Eskandari, K, ONIOM DFT study of the adsorption of cytosine on the Au/Ag and Ag/Au bimetallic nanosurfaces: The effect of sublayer. Applied Surface Science 2018. 712-725.
242. Eskandari, K.; Ebadinejad, F, Metal-ligand bond directionality in the M-2-NH3 complexes (M = Cu, Ag and Au). Molecular Physics 2018, 116(10), 1369-1376.
243. Drici, N, Analysis of polarization in hydrogen bonded complexes: An asymptotic projection approach. Chemical Physics Letters 2018. 1-7.
244. Dong, W.; Wang, Y.; Yang, X.; Cheng, J.; Li, Q, Dual function of the boron center of BH(CO)(2)/BH(N-2)(2) in halogen- and triel-bonded complexes with hypervalent halogens. Journal of Molecular Graphics & Modelling 2018. 118-124.
245. Dong, W.; Li, Q.; Scheiner, S, Comparative Strengths of Tetrel, Pnicogen, Chalcogen, and Halogen Bonds and Contributing Factors. Molecules 2018, 23(7).
246. Das, A. K.; Demerdash, O. N.; Head-Gordon, T, Improvements to the AMOEBA Force Field by Introducing Anisotropic Atomic Polarizability of the Water Molecule. Journal of Chemical Theory and Computation 2018, 14(12), 6722-6733.
247. Costa, M. P. M.; Prates, L. M.; Baptista, L.; Cruz, M. T. M.; Ferreira, I. L. M, Interaction of polyelectrolyte complex between sodium alginate and chitosan dimers with a single glyphosate molecule: A DFT and NBO study. Carbohydrate Polymers 2018. 51-60.
248. Chen, H.; Soubra-Ghaoui, C.; Zhu, Z.; Li, S.; Albright, T. A.; Cai, C, Isolation of an acetylide-Cu-3(I)-tris(triazolylmethyl)amine complex active in the CuAAC reaction. Journal of Catalysis 2018. 407-413.
249. Caldeweyher, E.; Brandenburg, J. G, Simplified DFT methods for consistent structures and energies of large systems. Journal of Physics-Condensed Matter 2018, 30(21).
250. Bhandary, S.; Sirohiwal, A.; Kadu, R.; Kumar, S.; Chopra, D, Dispersion Stabilized Se/Te center dot center dot center dot pi Double Chalcogen Bonding Synthons in in Situ Cryocrystallized Divalent Organochalcogen Liquids. Crystal Growth & Design 2018, 18(7), 3734-3739.
251. Aono, S.; Sakaki, S, QM/MM Approach to Isomerization of Ruthenium(II) Sulfur Dioxide Complex in Crystal; Comparison with Solution and Gas Phases. Journal of Physical Chemistry C 2018, 122(36), 20701-20716.
252. Alodia, N.; Jaganade, T.; Priyakumar, U. D, Quantum mechanical investigation of the nature of nucleobase-urea stacking interaction, a crucial driving force in RNA unfolding in aqueous urea. Journal of Chemical Sciences 2018, 130(11).
253. Zhang, Y.; Chen, S.; Ying, F.; Su, P.; Wu, W, Valence Bond Based Energy Decomposition Analysis Scheme and Its Application to Cation-pi Interactions. Journal of Physical Chemistry A 2018, 122(27), 5886-5894.
254. Zhang, C.; Fan, F.; Wang, Z.; Song, J.; Li, C.; Mo, Y, B-Heterocyclic Carbene Arising from Charge Shift: A Computational Verification. Chemistry-a European Journal 2018, 24(40), 10216-10223.
255. Yang, L.; Chen, X.; Qu, Z.; Gao, J, Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant Fe-IV(O)(N4Py)(ClO4)(2). Frontiers in Chemistry 2018.
256. Wu, J.; Liu, X.; Hao, Y.; Chen, H.; Su, P.; Wu, W.; Zhu, J, sigma-Aromaticity in a Fully Unsaturated Ring. Chemistry-an Asian Journal 2018, 13(23), 3691-3696.
257. Patil, A. B.; Bhanage, B. M, Assessing ionicity of protic ionic liquids by far IR spectroscopy. Journal of Molecular Liquids 2018. 180-183.
258. Martin Pendas, A.; Francisco, E, Decoding real space bonding descriptors in valence bond language. Physical Chemistry Chemical Physics 2018, 20(18), 12368-12372.
259. Lin, X.; Wu, W.; Wiherg, K. B.; Mo, Y, Role of Intramolecular Electron Delocalization in the C-X Bond Strength in CH4-nXn (n=0-4, X = F, CL, CN, OCH3). Journal of Physical Chemistry A 2018, 122(38), 7716-7722.
260. Lin, X.; Liu, X.; Ying, F.; Chen, Z.; Wu, W, Explicit construction of diabatic state and its application to the direct evaluation of electronic coupling. Journal of Chemical Physics 2018, 149(4).