Jason D. Goodpaster, Ph.D. - Publications

Affiliations: 
2014 Chemical Engineering California Institute of Technology, Pasadena, CA 
Area:
Theory and simulation of chemical, biochemical, and soft matter systems

20 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
2020 Beaumier EP, Gordon CP, Harkins RP, McGreal ME, Wen X, Copéret C, Goodpaster JD, Tonks IA. Cp2Ti(κ2-tBuNCNtBu): a Complex With an Unusual κ2 Coordination Mode of a Heterocumulene Featuring a Free Carbene. Journal of the American Chemical Society. PMID 32240590 DOI: 10.1021/jacs.0c02487  0.44
2020 Graham DS, Wen X, Chulhai DV, Goodpaster JD. Robust, accurate, and efficient: quantum embedding using the Huzinaga level-shift projection operator for complex systems. Journal of Chemical Theory and Computation. PMID 32105469 DOI: 10.1021/acs.jctc.9b01185  1
2020 Espinasse A, Wen X, Goodpaster JD, Carlson EE. Mechanistic Studies of Bioorthogonal ATP Analogues for Assessment of Histidine Kinase Autophosphorylation. Acs Chemical Biology. PMID 32043868 DOI: 10.1021/acschembio.9b01024  0.44
2019 Wen X, Graham DS, Chulhai DV, Goodpaster JD. Absolutely Localized Projection-Based Embedding for Excited States. Journal of Chemical Theory and Computation. PMID 31769981 DOI: 10.1021/acs.jctc.9b00959  1
2018 Davis-Gilbert ZW, Wen X, Goodpaster JD, Tonks IA. On the Mechanism of Ti-Catalyzed Oxidative Nitrene Transfer in [2+2+1] Pyrrole Synthesis from Alkynes and Azobenzene. Journal of the American Chemical Society. PMID 29763560 DOI: 10.1021/jacs.8b03546  0.44
2018 Chulhai DV, Goodpaster JD. Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems. Journal of Chemical Theory and Computation. PMID 29494155 DOI: 10.1021/acs.jctc.7b01154  1
2017 Singh MR, Goodpaster JD, Weber AZ, Head-Gordon M, Bell AT. Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models. Proceedings of the National Academy of Sciences of the United States of America. PMID 28973926 DOI: 10.1073/pnas.1713164114  0.8
2017 Chulhai DV, Goodpaster JD. Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization. Journal of Chemical Theory and Computation. PMID 28263589 DOI: 10.1021/acs.jctc.7b00034  1
2016 Goodpaster JD, Bell AT, Head-Gordon M. Identification of Possible Pathways for C-C Bond Formation During Electrochemical Reduction of CO2: New Theoretical Insights From an Improved Electrochemical Model. The Journal of Physical Chemistry Letters. PMID 27045040 DOI: 10.1021/acs.jpclett.6b00358  0.8
2014 Goodpaster JD, Barnes TA, Manby FR, Miller TF. Accurate and systematically improvable density functional theory embedding for correlated wavefunctions. The Journal of Chemical Physics. 140: 18A507. PMID 24832315 DOI: 10.1063/1.4864040  0.76
2013 Barnes TA, Goodpaster JD, Manby FR, Miller TF. Accurate basis set truncation for wavefunction embedding. The Journal of Chemical Physics. 139: 024103. PMID 23862925 DOI: 10.1063/1.4811112  0.76
2012 Goodpaster JD, Barnes TA, Manby FR, Miller TF. Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes. The Journal of Chemical Physics. 137: 224113. PMID 23248993 DOI: 10.1063/1.4770226  0.76
2012 Manby FR, Stella M, Goodpaster JD, Miller TF. A Simple, Exact Density-Functional-Theory Embedding Scheme. Journal of Chemical Theory and Computation. 8: 2564-2568. PMID 22904692 DOI: 10.1021/ct300544e  0.76
2011 Goodpaster JD, Barnes TA, Miller TF. Embedded density functional theory for covalently bonded and strongly interacting subsystems. The Journal of Chemical Physics. 134: 164108. PMID 21528951 DOI: 10.1063/1.3582913  0.76
2010 Goodpaster JD, Ananth N, Manby FR, Miller TF. Exact nonadditive kinetic potentials for embedded density functional theory. The Journal of Chemical Physics. 133: 084103. PMID 20815556 DOI: 10.1063/1.3474575  0.76
2008 Wang X, Kariuki N, Vaughey JT, Goodpaster J, Kumar R, Myers DJ. Bimetallic Pd-Cu oxygen reduction electrocatalysts Journal of the Electrochemical Society. 155: B602-B609. DOI: 10.1149/1.2902342  0.76
2007 Spendelow JS, Xu Q, Goodpaster JD, Kenis PJA, Wieckowski A. The role of surface defects in CO oxidation, methanol oxidation, and oxygen reduction on Pt(111) Journal of the Electrochemical Society. 154: F238-F242. DOI: 10.1149/1.2792335  0.76
2007 Spendelow JS, Goodpaster JD, Johnston CM, Kenis PJA, Wieckowski A. Methanol oxidation on Pt(111)/Ru in alkaline media Ecs Transactions. 11: 1333-1346. DOI: 10.1149/1.2781046  0.76
2006 Spendelow JS, Goodpaster JD, Kenis PJ, Wieckowski A. Methanol dehydrogenation and oxidation on Pt(111) in alkaline solutions. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 10457-64. PMID 17129016 DOI: 10.1021/la0615995  0.76
2006 Spendelow JS, Goodpaster JD, Kenis PJ, Wieckowski A. Mechanism of CO oxidation on Pt(111) in alkaline media. The Journal of Physical Chemistry. B. 110: 9545-55. PMID 16686501 DOI: 10.1021/jp060100c  0.76
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