Year |
Citation |
Score |
2023 |
Neisser RW, Davis JP, Alfieri ME, Harkins H, Petit AS, Tabor DP, Kidwell NM. Photophysical Outcomes of Water-Solvated Heterocycles: Single-Conformation Ultraviolet and Infrared Spectroscopy of Microsolvated 2-Phenylpyrrole. The Journal of Physical Chemistry. A. PMID 38085923 DOI: 10.1021/acs.jpca.3c04472 |
0.351 |
|
2019 |
Blackshaw KJ, Ortega B, Quartey NK, Fritzeen WE, Korb RT, Ajmani AK, Montgomery L, Marracci M, Vanegas GG, Galvan J, Sarvas Z, Petit AS, Kidwell NM. Nonstatistical Dissociation Dynamics of Nitroaromatic Chromophores. The Journal of Physical Chemistry. A. PMID 31038954 DOI: 10.1021/Acs.Jpca.9B02312 |
0.301 |
|
2015 |
Petit AS, Subotnik JE. Appraisal of Surface Hopping as a Tool for Modeling Condensed Phase Linear Absorption Spectra. Journal of Chemical Theory and Computation. 11: 4328-4341. PMID 26575927 DOI: 10.1021/Acs.Jctc.5B00510 |
0.315 |
|
2014 |
Petit AS, Subotnik JE. Calculating time-resolved differential absorbance spectra for ultrafast pump-probe experiments with surface hopping trajectories. The Journal of Chemical Physics. 141: 154108. PMID 25338882 DOI: 10.1063/1.4897258 |
0.382 |
|
2014 |
Liu F, Beames JM, Petit AS, McCoy AB, Lester MI. Infrared-driven unimolecular reaction of CH₃CHOO Criegee intermediates to OH radical products. Science (New York, N.Y.). 345: 1596-8. PMID 25258077 DOI: 10.1126/Science.1257158 |
0.478 |
|
2014 |
Petit AS, Subotnik JE. How to calculate linear absorption spectra with lifetime broadening using fewest switches surface hopping trajectories: a simple generalization of ground-state Kubo theory. The Journal of Chemical Physics. 141: 014107. PMID 25005277 DOI: 10.1063/1.4884945 |
0.373 |
|
2014 |
Petit AS, Ford JE, McCoy AB. Simultaneous evaluation of multiple rotationally excited states of H3(+), H3O(+), and CH5(+) using diffusion Monte Carlo. The Journal of Physical Chemistry. A. 118: 7206-20. PMID 24053598 DOI: 10.1021/Jp408821A |
0.642 |
|
2013 |
Petit AS, McCoy AB. Diffusion Monte Carlo in internal coordinates. The Journal of Physical Chemistry. A. 117: 7009-18. PMID 23410209 DOI: 10.1021/Jp312710U |
0.635 |
|
2013 |
Petit AS, Wellen BA, McCoy AB. Using fixed-node diffusion Monte Carlo to investigate the effects of rotation-vibration coupling in highly fluxional asymmetric top molecules: application to H2D+. The Journal of Chemical Physics. 138: 034105. PMID 23343266 DOI: 10.1063/1.4774318 |
0.676 |
|
2012 |
Petit AS, Wellen BA, McCoy AB. Unraveling rotation-vibration mixing in highly fluxional molecules using diffusion Monte Carlo: applications to H3+ and H3O+. The Journal of Chemical Physics. 136: 074101. PMID 22360230 DOI: 10.1063/1.3681391 |
0.639 |
|
2012 |
McCoy AB, Hinkle CE, Petit AS. Studying properties of floppy molecules using diffusion monte carlo Acs Symposium Series. 1094: 145-155. DOI: 10.1021/bk-2012-1094.ch012 |
0.504 |
|
2011 |
Hinkle CE, Petit AS, McCoy AB. Diffusion Monte Carlo studies of low energy ro-vibrational states of CH 5 + and its deuterated isotopologues Journal of Molecular Spectroscopy. 268: 189-198. DOI: 10.1016/J.Jms.2011.04.024 |
0.64 |
|
2009 |
Petit AS, McCoy AB. Diffusion Monte Carlo approaches for evaluating rotationally excited states of symmetric top molecules: application to H(3)O(+) and D(3)O(+). The Journal of Physical Chemistry. A. 113: 12706-14. PMID 19678634 DOI: 10.1021/Jp905098K |
0.647 |
|
1985 |
Soulard L, Fillaux F, Petit A, Soep B. Observation and interpretation of the fluorescence excitation spectrum of hexafluorobiacetyl under free jet expansion Chemical Physics. 95: 293-298. DOI: 10.1016/0301-0104(85)80081-1 |
0.354 |
|
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