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, 141, 174104
(10.1063/1.4900576).