Papers citing XMVB
401. Solimannejad, M.; Mirhoseini, B. S.; Esrafili, M. D, Microsolvation of CH+ in helium: An ab initio study. Journal of Theoretical & Computational Chemistry 2016, 15(2).
402. Singh, S. K.; Das, A.; Breton, G. W, An ab Initio Study of the Effect of Substituents on the n -> pi* Interactions between 7-Azaindole and 2,6-Difluorosubstituted Pyridines. Journal of Physical Chemistry A 2016, 120(31), 6258-6269.
403. Sieranski, T, The intricacies of the stacking interaction in a pyrrole-pyrrole system. Structural Chemistry 2016, 27(4), 1107-1120.
404. Sharma, B.; Neela, Y. I.; Sastry, G. N, Structures and Energetics of Complexation of Metal Ions with Ammonia, Water, and Benzene: A Computational Study. Journal of Computational Chemistry 2016, 37(11), 992-1004.
405. Shakourian-Fard, M.; Kamath, G.; Sankaranarayanan, S. K. R. S, Evaluating the Free Energies of Solvation and Electronic Structures of Lithium-Ion Battery Electrolytes. Chemphyschem 2016, 17(18), 2916-2930.
406. Savel'ev, V. A, Theoretical study of the interaction in HCCH center dot center dot center dot X- (X = F, Cl, Br, I) hydrogen-bonded anion-molecule complexes and calculation of the complex formation energy within an electrostatic model. Russian Journal of Physical Chemistry B 2016, 10(3), 360-370.
407. Sanchez-Sanz, G.; Trujillo, C.; Alkorta, I, Structure, binding energy and chiral discrimination in oxathiirane homodimers. Computational and Theoretical Chemistry 2016. 171-179.
408. Salter, E. A.; Wierzbicki, A, The response electron-electron repulsion energy and energy component analysis in CC/MBPT methods. Structural Chemistry 2016, 27(5), 1501-1509.
409. Saini, J.; Viswanathan, K. S, Does a hydrogen bonded complex with dual contacts show synergism? A matrix isolation infrared and ab-initio study of propargyl alcohol-water complex. Journal of Molecular Structure 2016. 147-156.
410. Reinhardt, C. R.; Jaglinski, T. C.; Kastenschmidt, A. M.; Song, E. H.; Gross, A. K.; Krause, A. J.; Gollmar, J. M.; Meise, K. J.; Stenerson, Z. S.; Weibel, T. J.; Dison, A.; Finnegan, M. R.; Griesi, D. S.; Heltne, M. D.; Hughes, T. G.; Hunt, C. D.; Jansen, K. A.; Xiong, A. H.; Hati, S.; Bhattacharyya, S, Insight into the kinetics and thermodynamics of the hydride transfer reactions between quinones and lumiflavin: a density functional theory study. Journal of Molecular Modeling 2016, 22(9).
411. Raut, A. H.; Karir, G.; Viswanathan, K. S, Matrix Isolation Infrared and Ab Initio Study of the Interaction of N-Heterocyclic Carbene with Water and Methanol: A Case Study of a Strong Hydrogen Bond. Journal of Physical Chemistry A 2016, 120(47), 9390-9400.
412. Radovanovic, L.; Rogan, J.; Poleti, D.; Rodic, M. V.; Begovic, N, Structural diversity of manganese(II) complexes containing 2,2 '-dipyridylamine and benzenedicarboxylates. Conformational analysis of tere-, iso- and phthalate ions: An experimental and quantum chemical approach. Inorganica Chimica Acta 2016. 46-56.
413. Quattrociocchi, D. G. S.; Ferreira, G. B.; da Costa, L. M.; Carneiro, J. W. d. M, DFT studies of the interactions between the Ca(H2O)(5) (2+) cation and monofunctional oxo, aza, sulfur and phosphorous ligands. Computational and Theoretical Chemistry 2016. 104-110.
414. Ponce-Vargas, M.; Munoz-Castro, A, Tiara-like Complexes acting as Iodine Encapsulating Agents: The Role of M center dot center dot center dot I Interactions in M(mu-SCH2CO2Me)(2) (8)subset of I-2 (M = Ni, Pd, Pt) Inclusion Compounds. Journal of Physical Chemistry C 2016, 120(41), 23441-23448.
415. Phipps, M. J. S.; Fox, T.; Tautermann, C. S.; Skylaris, C. K, Energy Decomposition Analysis Based on Absolutely Localized Molecular Orbitals for Large-Scale Density Functional Theory Calculations in Drug Design. Journal of Chemical Theory and Computation 2016, 12(7), 3135-3148.
416. Pereira, E. S.; Da Silva, J. C. S.; Brandao, T. A. S.; Rocha, W. R, Phosphorane lifetime and stereo-electronic effects along the alkaline hydrolysis of phosphate esters. Physical Chemistry Chemical Physics 2016, 18(27), 18255-18267.
417. Pathak, D.; Deuri, S.; Phukan, P, Theoretical Insights on the Interaction of N -Heterocyclic Carbenes with Tetravalent Silicon Reagents. Journal of Physical Chemistry A 2016, 120(1), 128-138.
418. Pathak, A. K.; Bandyopadhyay, T, Ortho-7 bound to the active-site gorge of free and OP-conjugated acetylcholinesterase: Cation- interactions. Biopolymers 2016, 105(1), 10-20.
419. Pathak, A. K, An ab Initio Study on the Structure, Energetics, and Spectra of Cl-center dot center dot center dot(CO2)(n) Clusters. Journal of Physical Chemistry A 2016, 120(49), 9776-9781.
420. Pan, S.; Moreno, D.; Ghosh, S.; Chattaraj, P. K.; Merino, G, Structure and Stability of Noble Gas Bound EX3+ Compounds (E = C, Ge, Sn, Pb; X = H, F, Cl, Br). Journal of Computational Chemistry 2016, 37(2), 226-236.