Papers citing XMVB
221. Mao, Y.; Head-Gordon, M.; Shao, Y, Unraveling substituent effects on frontier orbitals of conjugated molecules using an absolutely localized molecular orbital based analysis. Chemical Science 2018, 9(45), 8598-8607.
222. Malladi, S.; Yarasi, S.; Sastry, G. N, Exploring the potential of iron to replace ruthenium in photosensitizers: a computational study. Journal of Molecular Modeling 2018, 24(12).
223. Luis Casals-Sainz, J.; Jimenez-Gravalos, F.; Costales, A.; Francisco, E.; Martin Pendas, A, Beryllium Bonding in the Light of Modern Quantum Chemical Topology Tools. Journal of Physical Chemistry A 2018, 122(3), 849-858.
224. Li, Y.; Xu, Z, Competition between tetrel bond and pnicogen bond in complexes of TX3-ZX(2) and NH3. Journal of Molecular Modeling 2018, 24(9).
225. Li, J.; Wang, Y.; An, L.; Chen, J.; Yao, L, Direct Observation of CH/CH van der Waals Interactions in Proteins by NMR. Journal of the American Chemical Society 2018, 140(9), 3194-3197.
226. Kuznetsov, V. V, Ammonia Borane in Nanotubes: The Preference of Eclipsed Conformation. Russian Journal of Inorganic Chemistry 2018, 63(8), 1069-1075.
227. Karir, G.; Kumar, G.; Kar, B. P.; Viswanathan, K. S, Multiple Hydrogen Bond Tethers for Grazing Formic Acid in Its Complexes with Phenylacetylene. Journal of Physical Chemistry A 2018, 122(8), 2046-2059.
228. Jong, K.; Ansari, N.; Grisanti, L.; Hassanali, A, Understanding the quantum mechanical properties of hydrogen bonds in solvated biomolecules from cluster calculations. Journal of Molecular Liquids 2018. 501-509.
229. Jara-Cortes, J.; Landeros-Rivera, B.; Hernandez-Trujillo, J, Unveiling the role of intra and interatomic interactions in the energetics of reaction schemes: a quantum chemical topology analysis. Physical Chemistry Chemical Physics 2018, 20(43), 27558-27570.
230. Huang, Y.-J.; Chang, R.; Zhu, Q.-J, Synthesis and Characterization of a Molecularly Imprinted Polymer of Spermidine and the Exploration of Its Molecular Recognition Properties. Polymers 2018, 10(12).
231. Hou, J.-H.; Wu, D.; Liu, J.-Y.; Li, S.-Y.; Yu, D.; Li, Y, The effect of hydration on the electronic structure and stability of the superalkali cation Li-3(+). Physical Chemistry Chemical Physics 2018, 20(22), 15174-15182.
232. Hosseini, S. M.; Zabardasti, A, Two and Three-Body Interactions between CO, H2O, and HClO4. Iranian Journal of Chemistry & Chemical Engineering-International English Edition 2018, 37(6), 169-177.
233. Hatua, K.; Mondal, A.; Nandi, P. K, Static second hyperpolarizability of inverse sandwich compounds (M-1-C5H5-M-2) of alkali (M-1 = Li, Na, K) and alkaline earth metals (M-2 = Be, Mg, Ca). Physical Chemistry Chemical Physics 2018, 20(19), 13331-13339.
234. Hatua, K.; Mondal, A.; Banerjee, P.; Nandi, P. K, Diffuse electron of alkali metals (Li, Na, K) or diffuse electron pair of alkaline earth metals (Be, Mg, Ca) which predict larger second hyperpolarizability? A comprehensive study of M center dot center dot center dot NH3 model compounds. Chemical Physics Letters 2018. 160-165.
235. Gonthier, J. F.; Thirman, J.; Head-Gordon, M, Understanding Non-Covalent Interactions: Correlated Energy Decomposition Analysis and Applications to Halogen Bonding. Chimia 2018, 72(4), 193-198.
236. Ghahremanpour, M. M.; van Maaren, P. J.; Caleman, C.; Hutchison, G. R.; van der Spoel, D, Polarizable Drude Model with s-Type Gaussian or Slater Charge Density for General Molecular Mechanics Force Fields. Journal of Chemical Theory and Computation 2018, 14(11), 5553-5566.
237. Ge, Q.; Mao, Y.; Head-Gordon, M, Energy decomposition analysis for exciplexes using absolutely localized molecular orbitals. Journal of Chemical Physics 2018, 148(6).
238. Ge, Q.; Head-Gordon, M, Energy Decomposition Analysis for Excimers Using Absolutely Localized Molecular Orbitals within Time-Dependent Density Functional Theory and Configuration Interaction with Single Excitations. Journal of Chemical Theory and Computation 2018, 14(10), 5156-5168.
239. Fuss, D.; Wu, Y. Q.; Grossi, M. R.; Hollett, J. W.; Wood, T. E, Effect of the tether length upon Truce-Smiles rearrangement reactions. Journal of Physical Organic Chemistry 2018, 31(1).
240. Fedorov, D. G.; Kitaura, K, Pair Interaction Energy Decomposition Analysis for Density Functional Theory and Density-Functional Tight-Binding with an Evaluation of Energy Fluctuations in Molecular Dynamics. Journal of Physical Chemistry A 2018, 122(6), 1781-1795.