Joshua D. Coe, Ph.D.
Affiliations: | University of Illinois, Urbana-Champaign, Urbana-Champaign, IL |
Area:
theoretical chemistryGoogle:
"Joshua Coe"Mean distance: 9.54
Parents
Sign in to add mentor| Todd Martinez | grad student | 2007 | UIUC | |
| (Ab initio studies of intramolecular proton transfer and electronic relaxation.) | ||||
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Publications
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| Leiding J, Coe JD. (2014) An efficient approach to ab initio Monte Carlo simulation. The Journal of Chemical Physics. 140: 034106 |
| Yang S, Coe JD, Kaduk B, et al. (2009) An "optimal" spawning algorithm for adaptive basis set expansion in nonadiabatic dynamics. The Journal of Chemical Physics. 130: 134113 |
| Coe JD, Ong MT, Levine BG, et al. (2008) On the extent and connectivity of conical intersection seams and the effects of three-state intersections. The Journal of Physical Chemistry. A. 112: 12559-67 |
| Levine BG, Coe JD, Martínez TJ. (2008) Optimizing conical intersections without derivative coupling vectors: application to multistate multireference second-order perturbation theory (MS-CASPT2). The Journal of Physical Chemistry. B. 112: 405-13 |
| Coe JD, Martinez TJ. (2008) Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: The role of spectroscopically dark states Molecular Physics. 106: 537-545 |
| Levine BG, Coe JD, Virshup AM, et al. (2008) Implementation of ab initio multiple spawning in the Molpro quantum chemistry package Chemical Physics. 347: 3-16 |
| Lee AM, Coe JD, Ullrich S, et al. (2007) Substituent effects on dynamics at conical intersections: alpha,beta-enones. The Journal of Physical Chemistry. A. 111: 11948-60 |
| Coe JD, Levine BG, Martínez TJ. (2007) Ab initio molecular dynamics of excited-state intramolecular proton transfer using multireference perturbation theory. The Journal of Physical Chemistry. A. 111: 11302-10 |
| Coe JD, Martínez TJ. (2006) Ab initio molecular dynamics of excited-state intramolecular proton transfer around a three-state conical intersection in malonaldehyde. The Journal of Physical Chemistry. A. 110: 618-30 |
| Coe JD, Martínez TJ. (2005) Competitive decay at two- and three-state conical intersections in excited-state intramolecular proton transfer. Journal of the American Chemical Society. 127: 4560-1 |