tsscds2018: A code for automated discovery of chemical reaction mechanisms and solving the kinetics von Rodríguez, Aurelio, Rodríguez-Fernández, Roberto, A Vázquez, Saulo, L Barnes, George, J P Stewart, James, Martínez-Núñez, Emilio

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Direct Chemical Dynamics Simulations von Pratihar, Subha, Ma, Xinyou, Homayoon, Zahra, Barnes, George L, Hase, William L

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Hidden symmetries and large N factorisation for permutation invariant matrix observables von Barnes, George, Padellaro, Adrian, Ramgoolam, Sanjaye

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A Computational Comparison of Soft Landing of α‑Helical vs Globular Peptides von Frederickson, Danielle, McDonough, Meghan, Barnes, George L

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AutoMeKin2021: An open‐source program for automated reaction discovery von 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.

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Simulating the Effect of Charge State on Reactive Landing of a Cyclic Tetrapeptide on Chemically Modified Alkylthiolate Self-Assembled Monolayer Surfaces von Barnes, George L, Podczerwinski, Amanda

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Chemical dynamics simulations of energy transfer, surface-induced dissociation, soft-landing, and reactive-landing in collisions of protonated peptide ions with organic surfaces von Pratihar, Subha, Barnes, George L, Hase, William L

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The VENUS/NWChem software package. Tight coupling between chemical dynamics simulations and electronic structure theory von Lourderaj, Upakarasamy, Sun, Rui, Kohale, Swapnil C., Barnes, George L., de Jong, Wibe A., Windus, Theresa L., Hase, William L.

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Dynamics of Protonated Peptide Ion Collisions with Organic Surfaces: Consonance of Simulation and Experiment von Pratihar, Subha, Barnes, George L, Laskin, Julia, Hase, William L

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Memorial Viewpoint for William L. Hase von Lischka, Hans, Tully, John, Wang, Haobin, Barnes, George L

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Fracture healing as a post-natal developmental process: Molecular, spatial, and temporal aspects of its regulation von Gerstenfeld, Louis C., Cullinane, Dennis M., Barnes, George L., Graves, Dana T., Einhorn, Thomas A.

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Micro-computed tomography assessment of fracture healing: Relationships among callus structure, composition, and mechanical function von Morgan, Elise F, Mason, Zachary D, Chien, Karen B, Pfeiffer, Anthony J, Barnes, George L, Einhorn, Thomas A, Gerstenfeld, Louis C

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Model Simulations of the Thermal Dissociation of the TIK(H+)2 Tripeptide: Mechanisms and Kinetic Parameters von Homayoon, Zahra, Pratihar, Subha, Dratz, Edward, Snider, Ross, Spezia, Riccardo, Barnes, George L, Macaluso, Veronica, Martin Somer, Ana, Hase, William L

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Complex Formation during SID and Its Effect on Proton Mobility von Ijaz, Waleed, Gregg, Zackary, Barnes, George L

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Surface Deposition Resulting from Collisions between Diglycine and Chemically Modified Alkylthiolate Self-Assembled Monolayer Surfaces von Geragotelis, Andrew, Barnes, George L

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The Role of Proton Transfer in Surface-Induced Dissociation von Gregg, Zackary, Ijaz, Waleed, Jannetti, Stephen, Barnes, George L

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Enhanced Chondrogenesis and Wnt Signaling in PTH‐Treated Fractures von Kakar, Sanjeev, Einhorn, Thomas A, Vora, Siddharth, Miara, Lincoln J, Hon, Gregory, Wigner, Nathan A, Toben, Daniel, Jacobsen, Kimberly A, Al‐Sebaei, Maisa O, Song, Michael, Trackman, Philip C, Morgan, Elise F, Gerstenfeld, Louis C, Barnes, George L

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Energy Transfer, Unfolding, and Fragmentation Dynamics in Collisions of N-Protonated Octaglycine with an H-SAM Surface von Barnes, George L, Hase, William L

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Energy and temperature dependent dissociation of the Na(+)(benzene)1,2 clusters: importance of anharmonicity von Kolakkandy, Sujitha, Paul, Amit K, Pratihar, Subha, Kohale, Swapnil C, Barnes, George L, Wang, Hai, Hase, William L

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Osteogenic differentiation of marrow stromal cells cultured on nanoporous alumina surfaces von Popat, Ketul C., Chatvanichkul, Kwan-Isara, Barnes, George L., Latempa Jr, Thomas Joseph, Grimes, Craigs A., Desai, Tejal A.

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