Year |
Citation |
Score |
2011 |
Fu B, Shepler BC, Bowman JM. Three-state trajectory surface hopping studies of the photodissociation dynamics of formaldehyde on ab initio potential energy surfaces. Journal of the American Chemical Society. 133: 7957-68. PMID 21526775 DOI: 10.1021/Ja201559R |
0.519 |
|
2011 |
Wang Y, Huang X, Shepler BC, Braams BJ, Bowman JM. Flexible, ab initio potential, and dipole moment surfaces for water. I. Tests and applications for clusters up to the 22-mer. The Journal of Chemical Physics. 134: 094509. PMID 21384987 DOI: 10.1063/1.3554905 |
0.488 |
|
2011 |
Bowman JM, Shepler BC. Roaming radicals. Annual Review of Physical Chemistry. 62: 531-53. PMID 21219149 DOI: 10.1146/annurev-physchem-032210-103518 |
0.308 |
|
2011 |
Han YC, Shepler BC, Bowman JM. Quasiclassical trajectory calculations of the dissociation dynamics of CH3CHO at high energy yield many products Journal of Physical Chemistry Letters. 2: 1715-1719. DOI: 10.1021/Jz200719X |
0.422 |
|
2011 |
Shepler BC, Han Y, Bowman JM. Are roaming and conventional saddle points for H2CO and CH 3CHO dissociation to molecular products isolated from each other? Journal of Physical Chemistry Letters. 2: 834-838. DOI: 10.1021/Jz2002138 |
0.434 |
|
2010 |
Bowman JM, Braams BJ, Carter S, Chen C, Czakó G, Fu B, Huang X, Kamarchik E, Sharma AR, Shepler BC, Wang Y, Xie Z. Ab-initio-based potential energy surfaces for complex molecules and molecular complexes Journal of Physical Chemistry Letters. 1: 1866-1874. DOI: 10.1021/Jz100626H |
0.367 |
|
2009 |
Wang Y, Shepler BC, Braams BJ, Bowman JM. Full-dimensional, ab initio potential energy and dipole moment surfaces for water. The Journal of Chemical Physics. 131: 054511. PMID 19673578 DOI: 10.1063/1.3196178 |
0.52 |
|
2009 |
Chen C, Shepler BC, Braams BJ, Bowman JM. Quasiclassical trajectory calculations of the HO2 + NO reaction on a global potential energy surface. Physical Chemistry Chemical Physics : Pccp. 11: 4722-7. PMID 19492125 DOI: 10.1039/B823031E |
0.486 |
|
2009 |
Sharma AR, Braams BJ, Carter S, Shepler BC, Bowman JM. Full-dimensional ab initio potential energy surface and vibrational configuration interaction calculations for vinyl. The Journal of Chemical Physics. 130: 174301. PMID 19425770 DOI: 10.1063/1.3120607 |
0.513 |
|
2009 |
Czakó G, Shepler BC, Braams BJ, Bowman JM. Accurate ab initio potential energy surface, dynamics, and thermochemistry of the F+CH4-->HF+CH3 reaction. The Journal of Chemical Physics. 130: 084301. PMID 19256605 DOI: 10.1063/1.3068528 |
0.385 |
|
2008 |
Shepler BC, Epifanovsky E, Zhang P, Bowman JM, Krylov AI, Morokuma K. Photodissociation dynamics of formaldehyde initiated at the T1/S0 minimum energy crossing configurations. The Journal of Physical Chemistry. A. 112: 13267-70. PMID 19053567 DOI: 10.1021/Jp808410P |
0.462 |
|
2008 |
Du S, Francisco JS, Shepler BC, Peterson KA. Determination of the rate constant for sulfur recombination by quasiclassical trajectory calculations. The Journal of Chemical Physics. 128: 204306. PMID 18513018 DOI: 10.1063/1.2919569 |
0.614 |
|
2007 |
Shepler BC, Balabanov NB, Peterson KA. Hg+Br-->HgBr recombination and collision-induced dissociation dynamics. The Journal of Chemical Physics. 127: 164304. PMID 17979335 DOI: 10.1063/1.2777142 |
0.727 |
|
2007 |
Chen C, Shepler BC, Braams BJ, Bowman JM. Quasiclassical trajectory calculations of the OH+NO2 association reaction on a global potential energy surface. The Journal of Chemical Physics. 127: 104310. PMID 17867750 DOI: 10.1063/1.2764076 |
0.541 |
|
2007 |
Shepler BC, Braams BJ, Bowman JM. Quasiclassical trajectory calculations of acetaldehyde dissociation on a global potential energy surface indicate significant non-transition state dynamics. The Journal of Physical Chemistry. A. 111: 8282-5. PMID 17676724 DOI: 10.1021/Jp074646Q |
0.54 |
|
2007 |
Shepler BC, Wright AD, Balabanov NB, Peterson KA. Aqueous microsolvation of mercury halide species. The Journal of Physical Chemistry. A. 111: 11342-9. PMID 17595065 DOI: 10.1021/Jp072093D |
0.715 |
|
2007 |
Peterson KA, Shepler BC, Singleton JM. The group 12 metal chalcogenides: An accurate multireference configuration interaction and coupled cluster study Molecular Physics. 105: 1139-1155. DOI: 10.1080/00268970701241664 |
0.655 |
|
2007 |
Shepler BC, Yang BH, Dhilip Kumar TJ, Stancil PC, Bowman JM, Balakrishnan N, Zhang P, Bodo E, Dalgarno A. Low energy H+CO scattering revisited CO rotational excitation with new potential surfaces Astronomy and Astrophysics. 475: L15-L18. DOI: 10.1051/0004-6361:20078693 |
0.339 |
|
2006 |
Peterson KA, Shepler BC, Figgen D, Stoll H. On the spectroscopic and thermochemical properties of ClO, BrO, IO, and their anions. The Journal of Physical Chemistry. A. 110: 13877-83. PMID 17181347 DOI: 10.1021/Jp065887L |
0.678 |
|
2006 |
Shepler BC, Peterson KA. Chemically accurate thermochemistry of cadmium: An ab initio study of Cd + XY (X = H, O, Cl, Br; Y = Cl, Br). The Journal of Physical Chemistry. A. 110: 12321-9. PMID 17078631 DOI: 10.1021/Jp063771J |
0.626 |
|
2005 |
Balabanov NB, Shepler BC, Peterson KA. Accurate global potential energy surface and reaction dynamics for the ground state of HgBr2. The Journal of Physical Chemistry. A. 109: 8765-73. PMID 16834279 DOI: 10.1021/Jp053415L |
0.726 |
|
2005 |
Shepler BC, Balabanov NB, Peterson KA. Ab initio thermochemistry involving heavy atoms: an investigation of the reactions Hg + IX (X = I, Br, Cl, O). The Journal of Physical Chemistry. A. 109: 10363-72. PMID 16833332 DOI: 10.1021/Jp0541617 |
0.736 |
|
2003 |
Shepler BC, Peterson KA. Mercury monoxide: A systematic investigation of its ground electronic state Journal of Physical Chemistry A. 107: 1783-1787. DOI: 10.1021/Jp027512F |
0.656 |
|
2003 |
Shepler BC, Peterson KA. Mercury Monoxide: A Systematic Investigation of Its Ground Electronic State. Cheminform. 34. DOI: 10.1002/chin.200326001 |
0.44 |
|
Low-probability matches (unlikely to be authored by this person) |
2008 |
Shepler BC, Braams BJ, Bowman JM. "Roaming" dynamics in CH3CHO photodissociation revealed on a global potential energy surface. The Journal of Physical Chemistry. A. 112: 9344-51. PMID 18597443 DOI: 10.1021/Jp802331T |
0.294 |
|
2008 |
Heazlewood BR, Jordan MJ, Kable SH, Selby TM, Osborn DL, Shepler BC, Braams BJ, Bowman JM. Roaming is the dominant mechanism for molecular products in acetaldehyde photodissociation. Proceedings of the National Academy of Sciences of the United States of America. 105: 12719-24. PMID 18687891 DOI: 10.1073/Pnas.0802769105 |
0.271 |
|
2012 |
Sloop JC, Shultz DA, Marcus MB, Shepler B. Linear free-energy relationships in semiquinone species and their Mn(II) and Cu(II) complexes Journal of Physical Organic Chemistry. 25: 101-109. DOI: 10.1002/Poc.1878 |
0.237 |
|
2006 |
Sharma AR, Wu J, Braams BJ, Carter S, Schneider R, Shepler B, Bowman JM. Potential energy surface and MULTIMODE vibrational analysis of C 2H3 + Journal of Chemical Physics. 125. DOI: 10.1063/1.2402169 |
0.23 |
|
2012 |
Sloop JC, Shultz DA, Coote T, Shepler B, Sullivan U, Kampf JW, Boyle PD. Synthesis of and structure-property relationships in zinc complexes of bis-metaphenylene semiquinone biradical species Journal of Physical Organic Chemistry. 25: 314-321. DOI: 10.1002/Poc.1917 |
0.19 |
|
2022 |
Anfuso C, Awong-Taylor J, Curry Savage J, Johnson C, Leader T, Pinzon K, Shepler B, Achat-Mendes C. Investigating the impact of peer supplemental instruction on underprepared and historically underserved students in introductory STEM courses. International Journal of Stem Education. 9: 55. PMID 36093288 DOI: 10.1186/s40594-022-00372-w |
0.024 |
|
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