J. Goodpaster

发表

The Stability of the Complex and the Basicity of the Anion Impact the Selectivity and Affinity of Tripodal Gadolinium Complexes for Anions.

Jason D. Goodpaster, V. Pierre, Mandapati V Ramakrishnam Raju, 2019, Inorganic chemistry.

Density Functional Theory Embedding for Correlated Wavefunctions

J. Goodpaster, 2014 .

Absolutely Localized Projection-Based Embedding for Excited States.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2019, Journal of chemical theory and computation.

Fundamental insight into electrochemical oxidation of methane towards methanol on transition metal oxides

Jason D. Goodpaster, Meenesh R. Singh, J. Goodpaster, 2021, Proceedings of the National Academy of Sciences.

Mechanistic insights into electrochemical reduction of CO2 over Ag using density functional theory and transport models

Jason D. Goodpaster, M. Head‐Gordon, A. Bell, 2017, Proceedings of the National Academy of Sciences.

Theoretical Chemistry Answers Bimolecular Signaling Debate in [4Fe4S] Proteins

J. Goodpaster, 2019, Chem.

Carbodiimide Synthesis via Ti-Catalyzed Nitrene Transfer from Diazenes to Isocyanides.

Jason D. Goodpaster, Ian A. Tonks, James T Moore, 2019, ACS catalysis.

Mechanism of Ti-Catalyzed Oxidative Nitrene Transfer in [2 + 2 + 1] Pyrrole Synthesis from Alkynes and Azobenzene.

Ian A. Tonks, J. Goodpaster, Xuelan Wen, 2018, Journal of the American Chemical Society.

The Role of Surface Defects in CO Oxidation, Methanol Oxidation, and Oxygen Reduction on Pt ( 111 )

Jason D. Goodpaster, P. Kenis, A. Wiȩckowski, 2007 .

Fully quantum embedding with density functional theory for full configuration interaction quantum Monte Carlo.

Sai Kumar Ramadugu, Jason D. Goodpaster, J. Shepherd, 2019, Journal of chemical theory and computation.

Magnetic Ordering via Itinerant Ferromagnetism in a Metal-Organic Framework

Jason D. Goodpaster, J. Long, Michael L. Aubrey, 2020 .

Hydrogen Evolving Activity of Dithiolene-Based Metal-Organic Frameworks with Mixed Cobalt and Iron Centers.

J. Goodpaster, S. Marinescu, Keying Chen, 2021, Inorganic chemistry.

Magnetic ordering through itinerant ferromagnetism in a metal–organic framework

Michael E. Ziebel, Jason D. Goodpaster, J. Long, 2021, Nature Chemistry.

Mechanism of CO oxidation on Pt(111) in alkaline media.

P. Kenis, A. Wiȩckowski, J. Spendelow, 2006, The journal of physical chemistry. B.

Projection-Based Correlated Wave Function in Density Functional Theory Embedding for Periodic Systems.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2018, Journal of Chemical Theory and Computation.

Contrasting Mechanisms of Aromatic and Aryl-Methyl Substituent Hydroxylation by the Rieske Monooxygenase Salicylate 5-Hydroxylase.

J. Lipscomb, J. Goodpaster, M. Rogers, 2022, Biochemistry.

Ti-catalyzed ring-opening oxidative amination of methylenecyclopropanes with diazenes†

Ian A. Tonks, J. Goodpaster, Xuelan Wen, 2020, Chemical science.

Cp2Ti(κ2-tBuNCNtBu): a Complex With an Unusual κ2 Coordination Mode of a Heterocumulene Featuring a Free Carbene.

Ian A. Tonks, C. Copéret, C. Gordon, 2020, Journal of the American Chemical Society.

Tricarabrols A–C, three anti-inflammatory sesquiterpene lactone trimers featuring a methylene-tethered linkage from Carpesium faberi

Sheng Yao, C. Ke, Chunping Tang, 2020 .

Bimetallic Pd–Cu Oxygen Reduction Electrocatalysts

John T. Vaughey, Jason D. Goodpaster, Deborah J. Myers, 2008 .

Robust, accurate, and efficient: quantum embedding using the Huzinaga level-shift projection operator for complex systems.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2019, Journal of chemical theory and computation.

Accurate and systematically improvable density functional theory embedding for correlated wavefunctions.

Frederick R Manby, Thomas F. Miller, Thomas F Miller, 2014, The Journal of chemical physics.

Accurate basis set truncation for wavefunction embedding.

Frederick R Manby, Thomas F. Miller, Thomas F Miller, 2013, The Journal of chemical physics.

Huzinaga projection embedding for efficient and accurate energies of systems with localized spin-densities.

Dhabih V. Chulhai, Jason D. Goodpaster, J. Goodpaster, 2021, The Journal of chemical physics.

Improved Accuracy and Efficiency in Quantum Embedding through Absolute Localization.

Dhabih V. Chulhai, Dhabih V Chulhai, Jason D Goodpaster, 2017, Journal of chemical theory and computation.

Breaking the Correlation between Energy Costs and Kinetic Barriers in Hydrogen Evolution via a Cobalt Pyridine-Diimine-Dioxime Catalyst

Thomas F. Miller, Jonas C. Peters, Jason D. Goodpaster, 2016 .

Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model.

M. Head‐Gordon, A. Bell, J. Goodpaster, 2016, The journal of physical chemistry letters.

Plasmon-Mediated Intramolecular Methyl Migration with Nanoscale Spatial Control.

Dhabih V. Chulhai, R. Frontiera, J. Goodpaster, 2020, ACS nano.

Plasmon-Driven C–N Bond Cleavage Across a Series of Viologen Derivatives

Dhabih V. Chulhai, R. Frontiera, Ziwei Yu, 2019 .

Methanol dehydrogenation and oxidation on Pt(111) in alkaline solutions.

Jason D. Goodpaster, P. Kenis, A. Wiȩckowski, 2006, Langmuir : the ACS journal of surfaces and colloids.

Competing Effects of pH, Cation Identity, H2O Saturation, and N2 Concentration on the Activity and Selectivity of Electrochemical Reduction of N2 to NH3 on Electrodeposited Cu at Ambient Conditions

Jason D. Goodpaster, Meenesh R. Singh, J. Goodpaster, 2020 .

Density functional theory embedding for correlated wavefunctions: improved methods for open-shell systems and transition metal complexes.

Frederick R Manby, Thomas F. Miller, Thomas F Miller, 2012, The Journal of chemical physics.

Embedded density functional theory for covalently bonded and strongly interacting subsystems.

Thomas F. Miller, Jason D. Goodpaster, Taylor A. Barnes, 2011, The Journal of chemical physics.

Mechanistic Studies of Bioorthogonal ATP Analogs for Assessment of Histidine Kinase Autophosphorylation.

Erin E. Carlson, J. Goodpaster, Xuelan Wen, 2020, ACS chemical biology.

A Simple, Exact Density-Functional-Theory Embedding Scheme

Frederick R. Manby, Thomas F. Miller, Jason D. Goodpaster, 2012, Journal of chemical theory and computation.

Exact nonadditive kinetic potentials for embedded density functional theory.

Frederick R Manby, Thomas F. Miller, Thomas F Miller, 2010, The Journal of chemical physics.

Genome and Large-scale Screening of Nanoporous Materials 9:00 am Predictive Materials Discovery: Finding Optimal Zeolites for Challenging Separation and Chemical Conversions

O. Borodin, M. Deem, J. Hupp, 2016 .

Nanoporous Materials Genome Center All-Hands Meeting

O. Borodin, M. Deem, J. Hupp, 2014 .

Mechanistic Insights into Electrochemical Reduction of CO 2 over Ag using DFT and Transport Models Classification : Physical Sciences

M. Head‐Gordon, A. Bell, Meenesh R. Singh, 2017 .

Iterative Supervised Principal Component Analysis Driven Ligand Design for Regioselective Ti-Catalyzed Pyrrole Synthesis.

Jason D. Goodpaster, Ian A. Tonks, J. Goodpaster, 2020, ACS catalysis.

Neural network potentials for reactive chemistry: CASPT2 quality potential energy surfaces for bond breaking

J. Goodpaster, Daniel S. Graham, A. Johannesen, 2023, Digital Discovery.

Accurate basis set truncation for wavefunction embedding.

Thomas F. Miller, Jason D. Goodpaster, Taylor A. Barnes, 2013, The Journal of chemical physics.

Identification of Possible Pathways for C-C Bond Formation during Electrochemical Reduction of CO2: New Theoretical Insights from an Improved Electrochemical Model.

Jason D. Goodpaster, M. Head‐Gordon, A. Bell, 2016, The journal of physical chemistry letters.