Aaron M. Virshup, Ph.D. - Publications
Affiliations: | University of Illinois, Urbana-Champaign, Urbana-Champaign, IL |
Area:
theoretical chemistryYear | Citation | Score | |||
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2016 | Skourtis SS, Liu C, Antoniou P, Virshup AM, Beratan DN. Dexter energy transfer pathways. Proceedings of the National Academy of Sciences of the United States of America. PMID 27382185 DOI: 10.1073/Pnas.1517189113 | 0.418 | |||
2014 | Virshup AM, Levine BG, Martínez TJ. Steric and electrostatic effects on photoisomerization dynamics using QM/MM ab initio multiple spawning Theoretical Chemistry Accounts. 133: 1-11. DOI: 10.1007/S00214-014-1506-5 | 0.753 | |||
2012 | Virshup AM, Chen J, Martínez TJ. Nonlinear dimensionality reduction for nonadiabatic dynamics: the influence of conical intersection topography on population transfer rates. The Journal of Chemical Physics. 137: 22A519. PMID 23249056 DOI: 10.1063/1.4742066 | 0.708 | |||
2010 | Hammill JT, Contreras-García J, Virshup AM, Beratan D, Yang W, Wipf P. Synthesis and chemical diversity analysis of bicyclo[3.3.1]non-3-en-2-ones. Tetrahedron. 66: 5852-5862. PMID 20798897 DOI: 10.1016/J.Tet.2010.04.112 | 0.322 | |||
2009 | Ong MT, Leiding J, Tao H, Virshup AM, Martínez TJ. First principles dynamics and minimum energy pathways for mechanochemical ring opening of cyclobutene. Journal of the American Chemical Society. 131: 6377-9. PMID 19378993 DOI: 10.1021/Ja8095834 | 0.687 | |||
2009 | Virshup AM, Punwong C, Pogorelov TV, Lindquist BA, Ko C, Martínez TJ. Photodynamics in complex environments: ab initio multiple spawning quantum mechanical/molecular mechanical dynamics. The Journal of Physical Chemistry. B. 113: 3280-91. PMID 19090684 DOI: 10.1021/Jp8073464 | 0.552 | |||
2008 | Ko C, Virshup AM, Martínez TJ. Electrostatic control of photoisomerization in the photoactive yellow protein chromophore: Ab initio multiple spawning dynamics Chemical Physics Letters. 460: 272-277. DOI: 10.1016/J.Cplett.2008.05.029 | 0.689 | |||
2008 | Levine BG, Coe JD, Virshup AM, Martínez TJ. Implementation of ab initio multiple spawning in the Molpro quantum chemistry package Chemical Physics. 347: 3-16. DOI: 10.1016/J.Chemphys.2008.01.014 | 0.692 | |||
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