Publications: 2014

 

368.  Thapa, B; Schlegel, H. B.; Molecular Dynamics of Methanol Monocation (CH3OH+) in Strong Laser Fields. J. Phys. Chem. A 2014, 118, 1769-76, (10.1021/jp410091b)

369.  Krause, P.; Sonk, J. A.; Schlegel, H. B.; Strong field ionization rates simulated with TDCIS and an absorbing potential. J. Chem. Phys. Chem. 2014, 140, 174113 (10.1063/1.4874156)

370.  Mazumder, S.; Thomas, R. A.; Lord, R. L.; Schlegel, H. B.; Endicott, J. F.; A DFT and Spectroscopic Study of Intramolecular Quenching of Metal-to-Ligand-Charge-Transfer Excited States in Some Mono-Bipyridine Ruthenium(II) Complexes. Can. J. Chem. 2014, 92, 996-1009  (10.1139/cjc-2014-0155)

371.  Thapa, B; Schlegel, H. B.; Molecular Dynamics of Methanol Monocation (CH3OH+) in Strong Fields: Comparison of 800 nm and 7 micron Laser Fields. Chem. Phys. Lett. 2014, 610-611, 219-222 (10.1016/j.cplett.2014.07.033)

372.  Thapa, B; Schlegel, H. B.; Molecular Dynamics of Methylamine, Methanol and Methyl Fluoride Cations in Intense 800 nm and 7 micron Laser Fields. J. Phys. Chem. A 2014, 118, 10067-72 (10.1021/jp507251e)

373.  Wickramasinghe, L. D.; Mazumder, S.; Gonawala, S.; Perera, M. M.; Baydoun, H.; Thapa, B.; Li, L.; Xie, L.; Mao, G.; Zhou, Z.; Schlegel, H. B.; Verani, C. N.; Mechanisms of Rectification in Au|molecule|Au Devices Based on Langmuir-Blodgett Monolayers of Iron(III) and Copper(II) Surfactants. Angew. Chem., Int. Ed. 2014, 53, 14462-67 (10.1002/ange.201408649)

374.  Krause, P.; Schlegel, H. B.; Strong field ionization rates of linear polyenes simulated with TDCIS and an absorbing potential. J. Chem. Phys. 2014, 41, 174104 (10.1063/1.4900576).