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Mary A. Rohrdanz, Ph.D. - Publications

Affiliations: 
2005 University of Oregon, Eugene, OR, United States 
Area:
Physical Chemistry, Condensed Matter Physics
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12 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2015 Shao Y, Gan Z, Epifanovsky E, Gilbert ATB, Wormit M, Kussmann J, Lange AW, Behn A, Deng J, Feng X, Ghosh D, Goldey M, Horn PR, Jacobson LD, Kaliman I, ... ... Rohrdanz MA, et al. Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Molecular Physics. 113: 184-215. DOI: 10.1080/00268976.2014.952696  0.322
2013 Zheng W, Rohrdanz MA, Clementi C. Rapid exploration of configuration space with diffusion-map-directed molecular dynamics. The Journal of Physical Chemistry. B. 117: 12769-76. PMID 23865517 DOI: 10.1021/Jp401911H  0.301
2011 Zheng W, Qi B, Rohrdanz MA, Caflisch A, Dinner AR, Clementi C. Delineation of folding pathways of a β-sheet miniprotein. The Journal of Physical Chemistry. B. 115: 13065-74. PMID 21942785 DOI: 10.1021/Jp2076935  0.347
2011 Zheng W, Rohrdanz MA, Maggioni M, Clementi C. Polymer reversal rate calculated via locally scaled diffusion map. The Journal of Chemical Physics. 134: 144109. PMID 21495744 DOI: 10.1063/1.3575245  0.32
2011 Rohrdanz MA, Zheng W, Maggioni M, Clementi C. Determination of reaction coordinates via locally scaled diffusion map. The Journal of Chemical Physics. 134: 124116. PMID 21456654 DOI: 10.1063/1.3569857  0.348
2009 Rohrdanz MA, Martins KM, Herbert JM. 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. PMID 19206963 DOI: 10.1063/1.3073302  0.325
2008 Rohrdanz MA, Herbert JM. Simultaneous benchmarking of ground- and excited-state properties with long-range-corrected density functional theory. The Journal of Chemical Physics. 129: 034107. PMID 18647016 DOI: 10.1063/1.2954017  0.389
2008 Lange AW, Rohrdanz MA, Herbert JM. 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. PMID 18438995 DOI: 10.1021/Jp802058K  0.319
2006 Rohrdanz MA, Cina JA. Probing intermolecular communication via lattice phonons with time-resolved coherent anti-Stokes Raman scattering Molecular Physics. 104: 1161-1178. DOI: 10.1080/00268970500525515  0.649
2006 Chapman CT, Cina JA, Rohrdanz MA. Intermolecular communication and a vibrationally adiabatic basis treatment of small-molecule dynamics in low temperature solids Optics Infobase Conference Papers. DOI: 10.1007/978-3-540-68781-8-103  0.615
2006 Chapman CT, Cina JA, Rohrdanz MA. Intermolecular communication and a vibrationally adiabatic basis treatment of small-molecule dynamics in low temperature solids Optics Infobase Conference Papers.  0.695
2004 Rohrdanz MA, Cina JA. Calculating ultrafast nonlinear optical signals from molecules in cryogenic matrices Springer Series in Chemical Physics. 79: 523-525. DOI: 10.1007/3-540-27213-5_160  0.644
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