Mary A. Rohrdanz, Ph.D.

Affiliations: 
2005 University of Oregon, Eugene, OR, United States 
Area:
Physical Chemistry, Condensed Matter Physics
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"Mary Rohrdanz"
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Parents

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Jeffrey A. Cina grad student 2005 University of Oregon
 (Intermolecular communication via lattice phonons, probed by ultrafast spectroscopy.)
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Publications

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Shao Y, Gan Z, Epifanovsky E, et al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215
Zheng W, Rohrdanz MA, Clementi C. (2013) Rapid exploration of configuration space with diffusion-map-directed molecular dynamics. The Journal of Physical Chemistry. B. 117: 12769-76
Zheng W, Qi B, Rohrdanz MA, et al. (2011) Delineation of folding pathways of a β-sheet miniprotein. The Journal of Physical Chemistry. B. 115: 13065-74
Zheng W, Rohrdanz MA, Maggioni M, et al. (2011) Polymer reversal rate calculated via locally scaled diffusion map. The Journal of Chemical Physics. 134: 144109
Rohrdanz MA, Zheng W, Maggioni M, et al. (2011) Determination of reaction coordinates via locally scaled diffusion map. The Journal of Chemical Physics. 134: 124116
Rohrdanz MA, Martins KM, Herbert JM. (2009) A long-range-corrected density functional that performs well for both ground-state properties and time-dependent density functional theory excitation energies, including charge-transfer excited states. The Journal of Chemical Physics. 130: 054112
Rohrdanz MA, Herbert JM. (2008) Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory. The Journal of Chemical Physics. 129: 034107
Lange AW, Rohrdanz MA, Herbert JM. (2008) Charge-transfer excited states in a pi-stacked adenine dimer, as predicted using long-range-corrected time-dependent density functional theory. The Journal of Physical Chemistry. B. 112: 6304-8
Rohrdanz MA, Cina JA. (2006) Probing intermolecular communication via lattice phonons with time-resolved coherent anti-Stokes Raman scattering Molecular Physics. 104: 1161-1178
Chapman CT, Cina JA, Rohrdanz MA. (2006) Intermolecular communication and a vibrationally adiabatic basis treatment of small-molecule dynamics in low temperature solids Optics Infobase Conference Papers
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