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Benjamin A. Ellingson, Ph.D. - Publications

Affiliations: 
2007 University of Minnesota, Twin Cities, Minneapolis, MN 
Area:
Theoretical and Computational Chemistry
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Ellingson BA, Geballe MT, Wlodek S, Bayly CI, Skillman AG, Nicholls A. Efficient calculation of SAMPL4 hydration free energies using OMEGA, SZYBKI, QUACPAC, and Zap TK Journal of Computer-Aided Molecular Design. 28: 289-298. PMID 24633516 DOI: 10.1007/S10822-014-9720-8  0.379
2010 Ellingson BA, Skillman AG, Nicholls A. Analysis of SM8 and Zap TK calculations and their geometric sensitivity. Journal of Computer-Aided Molecular Design. 24: 335-42. PMID 20432055 DOI: 10.1007/S10822-010-9355-3  0.347
2007 Ellingson BA, Theis DP, Tishchenko O, Zheng J, Truhlar DG. Reactions of hydrogen atom with hydrogen peroxide. The Journal of Physical Chemistry. A. 111: 13554-66. PMID 18052356 DOI: 10.1021/Jp077379X  0.631
2007 Ellingson BA, Pu J, Lin H, Zhao Y, Truhlar DG. Multicoefficient Gaussian-3 calculation of the rate constant for the OH + CH4 reaction and its 12C/13C kinetic isotope effect with emphasis on the effects of coordinate system and torsional treatment. The Journal of Physical Chemistry. A. 111: 11706-17. PMID 17949061 DOI: 10.1021/Jp072843J  0.622
2007 Ellingson BA, Truhlar DG. Explanation of the unusual temperature dependence of the atmospherically important OH + H(2)S --> H(2)O + HS reaction and prediction of the rate constant at combustion temperatures. Journal of the American Chemical Society. 129: 12765-71. PMID 17910447 DOI: 10.1021/Ja072538B  0.603
2007 Fernández-Ramos A, Ellingson BA, Meana-Pañeda R, Marques JMC, Truhlar DG. Symmetry numbers and chemical reaction rates Theoretical Chemistry Accounts. 118: 813-826. DOI: 10.1007/S00214-007-0328-0  0.507
2007 Fernandez-Ramos A, Ellingson BA, Garrett BC, Truhlar DG. Variational transition state theory with multidimensional tunneling Reviews in Computational Chemistry. 23: 125-232. DOI: 10.1002/9780470116449.Ch3  0.619
2006 Ellingson BA, Lynch VA, Mielke SL, Truhlar DG. Statistical thermodynamics of bond torsional modes: tests of separable, almost-separable, and improved Pitzer-Gwinn approximations. The Journal of Chemical Physics. 125: 084305. PMID 16965010 DOI: 10.1063/1.2219441  0.573
2005 Lin H, Zhao Y, Ellingson BA, Pu J, Truhlar DG. Temperature dependence of carbon-13 kinetic isotope effects of importance to global climate change. Journal of the American Chemical Society. 127: 2830-1. PMID 15740100 DOI: 10.1021/Ja0434026  0.63
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