tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics
Rodríguez, Aurelio, Rodríguez-Fernández, Roberto, A Vázquez, Saulo, L Barnes, George, J P Stewart, James, Martínez-Núñez, Emilio
Published in Journal of computational chemistry (05.09.2018)
Published in Journal of computational chemistry (05.09.2018)
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Journal Article
Modeling the Effects of O‑Sulfonation on the CID of Serine
Lucas, Kenneth, Barnes, George L
Published in Journal of the American Society for Mass Spectrometry (06.05.2020)
Published in Journal of the American Society for Mass Spectrometry (06.05.2020)
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Journal Article
Direct Chemical Dynamics Simulations
Pratihar, Subha, Ma, Xinyou, Homayoon, Zahra, Barnes, George L, Hase, William L
Published in Journal of the American Chemical Society (15.03.2017)
Published in Journal of the American Chemical Society (15.03.2017)
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Journal Article
Hidden symmetries and large N factorisation for permutation invariant matrix observables
Barnes, George, Padellaro, Adrian, Ramgoolam, Sanjaye
Published in The journal of high energy physics (05.08.2022)
Published in The journal of high energy physics (05.08.2022)
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Journal Article
A Computational Comparison of Soft Landing of α‑Helical vs Globular Peptides
Frederickson, Danielle, McDonough, Meghan, Barnes, George L
Published in The journal of physical chemistry. B (18.10.2018)
Published in The journal of physical chemistry. B (18.10.2018)
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Journal Article
Role of Chemical Dynamics Simulations in Mass Spectrometry Studies of Collision-Induced Dissociation and Collisions of Biological Ions with Organic Surfaces
Martin Somer, Ana, Macaluso, Veronica, Barnes, George L, Yang, Li, Pratihar, Subha, Song, Kihyung, Hase, William L, Spezia, Riccardo
Published in Journal of the American Society for Mass Spectrometry (02.01.2020)
Published in Journal of the American Society for Mass Spectrometry (02.01.2020)
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Journal Article
Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces
Pratihar, Subha, Barnes, George L, Hase, William L
Published in Chemical Society reviews (07.07.2016)
Published in Chemical Society reviews (07.07.2016)
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Journal Article
AutoMeKin2021: An open‐source program for automated reaction discovery
Martínez‐Núñez, Emilio, Barnes, George L., Glowacki, David R., Kopec, Sabine, Peláez, Daniel, Rodríguez, Aurelio, Rodríguez‐Fernández, Roberto, Shannon, Robin J., Stewart, James J. P., Tahoces, Pablo G., Vazquez, Saulo A.
Published in Journal of computational chemistry (30.10.2021)
Published in Journal of computational chemistry (30.10.2021)
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Journal Article
Exploring the Effects of Methylation on the CID of Protonated Lysine: A Combined Experimental and Computational Approach
Lucas, Kenneth, Chen, Amy, Schubmehl, Megan, Kolonko, Kristopher J, Barnes, George L
Published in Journal of the American Society for Mass Spectrometry (03.11.2021)
Published in Journal of the American Society for Mass Spectrometry (03.11.2021)
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Journal Article
The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory
Lourderaj, Upakarasamy, Sun, Rui, Kohale, Swapnil C., Barnes, George L., de Jong, Wibe A., Windus, Theresa L., Hase, William L.
Published in Computer physics communications (01.03.2014)
Published in Computer physics communications (01.03.2014)
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Journal Article
Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters
Homayoon, Zahra, Pratihar, Subha, Dratz, Edward, Snider, Ross, Spezia, Riccardo, Barnes, George L, Macaluso, Veronica, Martin Somer, Ana, Hase, William L
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.10.2016)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (27.10.2016)
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Journal Article
Complex Formation during SID and Its Effect on Proton Mobility
Ijaz, Waleed, Gregg, Zackary, Barnes, George L
Published in The journal of physical chemistry letters (21.11.2013)
Published in The journal of physical chemistry letters (21.11.2013)
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Journal Article
The Role of Proton Transfer in Surface-Induced Dissociation
Gregg, Zackary, Ijaz, Waleed, Jannetti, Stephen, Barnes, George L
Published in Journal of physical chemistry. C (25.09.2014)
Published in Journal of physical chemistry. C (25.09.2014)
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Journal Article
Fracture healing as a post-natal developmental process: Molecular, spatial, and temporal aspects of its regulation
Gerstenfeld, Louis C., Cullinane, Dennis M., Barnes, George L., Graves, Dana T., Einhorn, Thomas A.
Published in Journal of cellular biochemistry (01.04.2003)
Published in Journal of cellular biochemistry (01.04.2003)
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Journal Article
Micro-computed tomography assessment of fracture healing: Relationships among callus structure, composition, and mechanical function
Morgan, Elise F, Mason, Zachary D, Chien, Karen B, Pfeiffer, Anthony J, Barnes, George L, Einhorn, Thomas A, Gerstenfeld, Louis C
Published in Bone (New York, N.Y.) (01.02.2009)
Published in Bone (New York, N.Y.) (01.02.2009)
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Journal Article
The efficacy and safety of multivitamin and mineral supplement use to prevent cancer and chronic disease in adults: a systematic review for a National Institutes of Health state-of-the-science conference
Huang, Han-Yao, Caballero, Benjamin, Chang, Stephanie, Alberg, Anthony J, Semba, Richard D, Schneyer, Christine R, Wilson, Renee F, Cheng, Ting-Yuan, Vassy, Jason, Prokopowicz, Gregory, Barnes, 2nd, George J, Bass, Eric B
Published in Annals of internal medicine (05.09.2006)
Published in Annals of internal medicine (05.09.2006)
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Journal Article