Papers citing XMVB
301. Souri, M.; Mohammadi, A. K, Investigation of solvent effect on adenine-thymine base pair interaction. Journal of Molecular Liquids 2017. 169-174.
302. Soleimannejad, J.; Sedghiniya, S.; Taghavi, T.; Nazarnia, E.; Janczak, J, Synthesis, structural and theoretical study of two new proton transfer compounds based on diphenic acid. Journal of Molecular Structure 2017. 244-251.
303. Sieranski, T, Discovering the stacking landscape of a pyridine-pyridine system. Journal of Molecular Modeling 2017, 23(12).
304. Sekhar, P.; Ghosh, A.; Joshi, M.; Ghanty, T. K, Noble Gas Encapsulated Endohedral Zintl Ions Ng@Pb-12(2-) and Ng@Sn-12(2-) (Ng = He, Ne, Ar, and Kr): A Theoretical Investigation. Journal of Physical Chemistry C 2017, 121(21), 11932-11949.
305. Sedlak, R.; Rezac, J, Empirical D3 Dispersion as a Replacement for ab lnitio Dispersion Terms in Density Functional Theory-Based Symmetry-Adapted Perturbation Theory. Journal of Chemical Theory and Computation 2017, 13(4), 1638-1646.
306. Schaub, T. A.; Sure, R.; Hampel, F.; Grimme, S.; Kivala, M, Quantum Chemical Dissection of the Shortest P=OI Halogen Bond: The Decisive Role of Crystal Packing Effects. Chemistry-a European Journal 2017, 23(24), 5687-5691.
307. Sarkar, S.; Ramanathan, N.; Gopi, R.; Sundararajan, K, Pyrrole multimers and pyrrole-acetylene hydrogen bonded complexes studied in N-2 and para-H-2 matrixes using matrix isolation infrared spectroscopy and ab initio computations. Journal of Molecular Structure 2017. 387-403.
308. Samanta, A. K.; Banerjee, P.; Bandyopadhyay, B.; Pandey, P.; Chakraborty, T, Antagonistic Interplay Between an Intermolecular CH center dot center dot center dot O and an Intramolecular OH center dot center dot center dot O Hydrogen Bond in a 1:1 Complex Between 1,2-Cyclohexanedione and Chloroform: A Combined Matrix Isolation Infrared and Quantum Chemistry Study. Journal of Physical Chemistry A 2017, 121(32), 6012-6020.
309. Sajid, H.; Mahmood, T.; Ayub, K, An accurate comparative theoretical study of the interaction of furan, pyrrole, and thiophene with various gaseous analytes. Journal of Molecular Modeling 2017, 23(10).
310. Roesel, S.; Quanz, H.; Logemann, C.; Becker, J.; Mossou, E.; Canadillas-Delgado, L.; Caldeweyher, E.; Grimme, S.; Schreiner, P. R, London Dispersion Enables the Shortest Intermolecular Hydrocarbon H center dot center dot center dot H Contact. Journal of the American Chemical Society 2017, 139(22), 7428-7431.
311. Radenkovic, S.; Antic, M.; Savic, N. D.; Glisic, B. D, The nature of the Au-N bond in gold(III) complexes with aromatic nitrogen-containing heterocycles: the influence of Au(III) ions on the ligand aromaticity. New Journal of Chemistry 2017, 41(21), 12407-12415.
312. Quattrociocchi, D. S. G.; Carneiro, J. W. d. M.; Ferreira, G. B.; Stoyanov, S. R.; Damasceno, R. N.; da Costa, L. M, Design of Molecular Building Blocks for the Development of Nickel(II)-Chelating Agents. Chemistryselect 2017, 2(17), 4617-4625.
313. Pontes, R. M.; Basso, E. A.; Martins, D. E.; Madeira, R. M, Acidities under the Perspective of Energy Decomposition Analysis. Journal of Physical Chemistry A 2017, 121(26), 4993-5004.
314. Phipps, M. J. S.; Fox, T.; Tautermann, C. S.; Skylaris, C. K, Intuitive Density Functional Theory-Based Energy Decomposition Analysis for Protein-Ligand Interactions. Journal of Chemical Theory and Computation 2017, 13(4), 1837-1850.
315. Perez, J. E.; Kumar, M.; Francisco, J. S.; Sinha, A, Oxygenate-Induced Tuning of Aldehyde-Amine Reactivity and Its Atmospheric Implications. Journal of Physical Chemistry A 2017, 121(5), 1022-1031.
316. Pathak, A. K.; Bandyopadhyay, T, Unbinding of fluorinated oxime drug from the AChE gorge in polarizable water: a well-tempered metadynamics study. Physical Chemistry Chemical Physics 2017, 19(7), 5560-5569.
317. Pastorczak, E.; Corminboeuf, C, Perspective: Found in translation: Quantum chemical tools for grasping non-covalent interactions. Journal of Chemical Physics 2017, 146(12).
318. Nochebuena, J.; Cuautli, C.; Ireta, J, Origin of cooperativity in hydrogen bonding. Physical Chemistry Chemical Physics 2017, 19(23), 15256-15263.
319. Miriyala, V. M.; Rezac, J, Description of Non-Covalent Interactions in SCC-DFTB Methods. Journal of Computational Chemistry 2017, 38(10), 688-697.
320. Miriyala, V. M.; Bhasi, P.; Nhlabatsi, Z. P.; Sitha, S, Formation of a pre-reaction hydrogen-bonded complex and its significance in the potential energy surface of the OH + SO2 -> HOSO2 reaction: A computational study. Journal of Theoretical & Computational Chemistry 2017, 16(5).