Papers citing XMVB
201. Toepfer, K.; Tremblay, J. C, First-Principle Investigations of the Interaction between CO and O-2 with Group 11 Atoms on a Defect-Free MgO(001) Surface. Journal of Physical Chemistry A 2018, 122(8), 2307-2317.
202. Thomas, S. P.; Spackman, P. R.; Jayatilaka, D.; Spackman, M. A, Accurate Lattice Energies for Molecular Crystals from Experimental Crystal Structures. Journal of Chemical Theory and Computation 2018, 14(3), 1614-1623.
203. Tang, H.-f.; Zhong, H.; Zhang, L.-l.; Gong, M.-x.; Song, S.-q.; Tian, Q.-p, Theoretical investigations into the intermolecular hydrogen-bonding interactions of N-(hydroxymethyl)acetamide dimers. Journal of Molecular Modeling 2018, 24(6).
204. Sugimura, N.; Igarashi, Y.; Aoyama, R.; Shibue, T, Theoretical study of charge-remote fragmentation along the reaction coordinate of 1,4-hydrogen elimination in the gas-phase: Energy barrier and mechanism. Chemical Physics Letters 2018. 336-340.
205. Stojanovic, M.; Baranac-Stojanovic, M, Analysis of Stability and (Anti)aromaticity of BN-Dibenzo a, e pentalenes. European Journal of Organic Chemistry 2018, 2018(45), 6230-6240.
206. Stasyuk, O. A.; Sedlak, R.; Guerra, C. F.; Hobza, P, Comparison of the DFT-SAPT and Canonical EDA Schemes for the Energy Decomposition of Various Types of Noncovalent Interactions. Journal of Chemical Theory and Computation 2018, 14(7), 3440-3450.
207. Sproviero, E. M, Intramolecular Natural Energy Decomposition Analysis: Applications to the Rational Design of Foldamers. Journal of Computational Chemistry 2018, 39(20), 1367-1386.
208. Si, M. K.; Ganguly, B, Exploring the origin and magnitude of tetrasulfur tetranitrogen interaction with pi-ring systems using first principle calculations. Chemical Physics Letters 2018. 160-165.
209. Sheng, X.; Jiang, X.; Zhao, H.; Wan, D.; Liu, Y.; Ngwenya, C. A.; Du, L, FTIR study of hydrogen bonding interaction between fluorinated alcohol and unsaturated esters. Spectrochimica Acta Part a-Molecular and Biomolecular Spectroscopy 2018. 239-247.
210. Shen, S.; Zeng, Y.; Li, X.; Meng, L.; Zhang, X, Insight into the -hole center dot center dot center dot-electrons tetrel bonds between F(2)ZO (Z=C, Si, Ge) and unsaturated hydrocarbons. International Journal of Quantum Chemistry 2018, 118(8).
211. Pontes, R. M, Theoretical perspectives on carbocation chemistry from energy decomposition analysis. Theoretical Chemistry Accounts 2018, 137(4).
212. Pontes, R. M, Basicity of amines and some related compounds from energy decomposition analysis. Computational and Theoretical Chemistry 2018. 63-72.
213. Ponce-Vargas, M.; Munoz-Castro, A, Stabilizing Role of Halide Ions in Endohedral 20 Silafulleranes: Insights from DFT Calculations toward Silicon Nanocages. Journal of Physical Chemistry C 2018, 122(23), 12551-12558.
214. Patra, S. G, Lewis acidity of benzene in half-sandwich ruthenium arene complex. A computational study. Computational and Theoretical Chemistry 2018. 34-48.
215. Pathak, A. K.; Bandyopadhy, T, Dynamic Mechanism of a Fluorinated Oxime Reactivator Unbinding from AChE Gorge in Polarizable Water. Journal of Physical Chemistry B 2018, 122(14), 3876-3888.
216. Papendick, M.; Feil, C. M.; Nieger, M.; Gudat, D, Steric Control in Reactions of N-Heterocyclic Phosphorus Electrophiles with Pentacarbonyl Manganate(-I). Zeitschrift Fur Anorganische Und Allgemeine Chemie 2018, 644(17), 1006-1010.
217. Paez Meza, M.; Perez Sotelo, D.; Vergara Hernandez, M.; Arciria Pico, E.; Figueredo Lopez, S, Viscometric, thermodynamic and theoretical DFT studies of DL-2-aminobutyric acid in aqueous sodium nitrate solutions at different temperatures. Journal of Molecular Liquids 2018. 599-609.
218. Mukhopadhyay, D. P.; Biswas, S.; Chattopadhyay, A.; Chakraborty, T, Conformational Preference Determined by C-H center dot center dot center dot pi Interaction of an O-H center dot center dot center dot O Hydrogen-Bonded Binary Complex of p-Fluorophenol with 2,5-Dihydrofuran: A Laser-Induced Fluorescence Spectroscopy Study. Journal of Physical Chemistry A 2018, 122(15), 3787-3797.
219. Mazmanian, K.; Dudev, T.; Lim, C, How First Shell-Second Shell Interactions and Metal Substitution Modulate Protein Function. Inorganic Chemistry 2018, 57(22), 14052-14061.
220. Matczak, P, Tuning of non-covalent interactions involving a halogen atom that plays the role of Lewis acid and base simultaneously. Molecular Physics 2018, 116(3), 338-350.