| Year |
Citation |
Score |
| 2018 |
Thomas PS, Carrington T, Agarwal J, Schaefer HF. Using an iterative eigensolver and intertwined rank reduction to compute vibrational spectra of molecules with more than a dozen atoms: Uracil and naphthalene. The Journal of Chemical Physics. 149: 064108. PMID 30111157 DOI: 10.1063/1.5039147 |
0.557 |
|
| 2017 |
Thomas PS, Carrington T. An intertwined method for making low-rank, sum-of-product basis functions that makes it possible to compute vibrational spectra of molecules with more than 10 atoms. The Journal of Chemical Physics. 146: 204110. PMID 28571348 DOI: 10.1063/1.4983695 |
0.552 |
|
| 2016 |
Füchsel G, Thomas PS, den Uyl J, Öztürk Y, Nattino F, Meyer HD, Kroes GJ. Rotational effects on the dissociation dynamics of CHD3 on Pt(111). Physical Chemistry Chemical Physics : Pccp. PMID 26925965 DOI: 10.1039/C5Cp07898A |
0.667 |
|
| 2016 |
Leclerc A, Thomas PS, Carrington T. Comparison of different eigensolvers for calculating vibrational spectra using low-rank, sum-of-product basis functions Molecular Physics. 115: 1740-1749. DOI: 10.1080/00268976.2016.1249980 |
0.54 |
|
| 2015 |
Thomas PS, Carrington T. Using Nested Contractions and a Hierarchical Tensor Format to Compute Vibrational Spectra of Molecules with Seven Atoms. The Journal of Physical Chemistry. A. PMID 26555177 DOI: 10.1021/Acs.Jpca.5B10015 |
0.554 |
|
| 2012 |
Thomas PS, Somers MF, Hoekstra AW, Kroes GJ. Chebyshev high-dimensional model representation (Chebyshev-HDMR) potentials: application to reactive scattering of H2 from Pt(111) and Cu(111) surfaces. Physical Chemistry Chemical Physics : Pccp. 14: 8628-43. PMID 22596090 DOI: 10.1039/C2Cp40173H |
0.517 |
|
| 2011 |
Melnik D, Thomas PS, Miller TA. Electronic transition moment for the 0(0)(0) band of the à ← X̃ transition in the ethyl peroxy radical. The Journal of Physical Chemistry. A. 115: 13931-41. PMID 22003851 DOI: 10.1021/Jp207647H |
0.759 |
|
| 2011 |
Thomas PS, Miller TA. The Ã-X̃ electronic absorption of cyclopentadienyl peroxy radical (c-C5H5OO): A cavity ringdown spectroscopic and computational study Chemical Physics Letters. 514: 196-201. DOI: 10.1016/J.Cplett.2011.08.041 |
0.574 |
|
| 2010 |
Thomas PS, Kline ND, Miller TA. Ã-X absorption of propargyl peroxy radical (H-C≡C-CH2OO·): a cavity ring-down spectroscopic and computational study. The Journal of Physical Chemistry. A. 114: 12437-46. PMID 21050020 DOI: 10.1021/Jp108158A |
0.769 |
|
| 2010 |
Thomas PS, Bowling NP, Burrmann NJ, McMahon RJ. Dialkynyl carbene derivatives: generation and characterization of triplet tert-butylpentadiynylidene (t-Bu-C≡C-C̈-C≡C-H) and dimethylpentadiynylidene (Me-C≡C-C̈-C≡C-Me). The Journal of Organic Chemistry. 75: 6372-81. PMID 20812698 DOI: 10.1021/Jo101096N |
0.683 |
|
| 2010 |
Thomas PS, Chhantyal-Pun R, Kline ND, Miller TA. The A-X absorption of vinoxy radical revisited: normal and Herzberg-Teller bands observed via cavity ringdown spectroscopy. The Journal of Chemical Physics. 132: 114302. PMID 20331292 DOI: 10.1063/1.3352976 |
0.764 |
|
| 2010 |
Thomas PS, Chhantyal-Pun R, Miller TA. Observation of the A-X electronic transitions of cyclopentyl and cyclohexyl peroxy radicals via cavity ringdown spectroscopy. The Journal of Physical Chemistry. A. 114: 218-31. PMID 20055516 DOI: 10.1021/Jp907605J |
0.575 |
|
| 2010 |
Chhantyal-Pun R, Kline ND, Thomas PS, Miller TA. Observation of the Ã-X̃ electronic transition of the β-hydroxyethylperoxy radical Journal of Physical Chemistry Letters. 1: 1846-1852. DOI: 10.1021/Jz1005576 |
0.744 |
|
| 2010 |
Thomas PS, Miller TA. Cavity ringdown spectroscopy of the NIR over(A, ∼) - over(X, ∼) electronic transition of allyl peroxy radical (H2C{double bond, long}CH-CH2OO·) Chemical Physics Letters. 491: 123-131. DOI: 10.1016/J.Cplett.2010.03.073 |
0.576 |
|
| 2009 |
Thomas PS, Bowling NP, McMahon RJ. Spectroscopy and photochemistry of triplet methylpentadiynylidene (Me-C[triple bond]C-:C-C[triple bond]C-H). Journal of the American Chemical Society. 131: 8649-59. PMID 19459629 DOI: 10.1021/Ja901977S |
0.74 |
|
| 2006 |
Bowling NP, Halter RJ, Hodges JA, Seburg RA, Thomas PS, Simmons CS, Stanton JF, McMahon RJ. Reactive carbon-chain molecules: synthesis of 1-diazo-2,4-pentadiyne and spectroscopic characterization of triplet pentadiynylidene (H-C[triple bond]C-:C-C[triple bond]C-H). Journal of the American Chemical Society. 128: 3291-302. PMID 16522111 DOI: 10.1021/Ja058252T |
0.732 |
|
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