Reductive Amination of Carbonyl C–C Bonds Enables Formal Nitrogen Insertion von Amber, Charis, Göttemann, Lucas T., Steele, Ryan T., Petitjean, Timothée M., Sarpong, Richmond

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Efficient anharmonic vibrational spectroscopy for large molecules using local-mode coordinates von Cheng, Xiaolu, Steele, Ryan P

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Causal modelling demonstrates metabolic power is largely affected by gait kinematics and motor control in children with cerebral palsy von Gill, Pavreet K, Steele, Katherine M, Donelan, J Maxwell, Schwartz, Michael H

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Persistence of a Delocalized Radical in Larger Clusters of Hydrated Copper(II) Hydroxide, CuOH+(H2O)3–7 von Christensen, Elizabeth G., Lutz, Kevin T., Spencer, Ryan J., Steele, Ryan P.

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Morbidity and mortality due to shigella and enterotoxigenic Escherichia coli diarrhoea: the Global Burden of Disease Study 1990–2016 von Khalil, Ibrahim A, Troeger, Christopher, Blacker, Brigette F, Rao, Puja C, Brown, Alexandria, Atherly, Deborah E, Brewer, Thomas G, Engmann, Cyril M, Houpt, Eric R, Kang, Gagandeep, Kotloff, Karen L, Levine, Myron M, Luby, Stephen P, MacLennan, Calman A, Pan, William K, Pavlinac, Patricia B, Platts-Mills, James A, Qadri, Firdausi, Riddle, Mark S, Ryan, Edward T, Shoultz, David A, Steele, A Duncan, Walson, Judd L, Sanders, John W, Mokdad, Ali H, Murray, Christopher J L, Hay, Simon I, Reiner, Robert C

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Surface and Stability Characterization of a Nanoporous ZIF‑8 Thin Film von Tian, Fangyuan, Cerro, Andrew M, Mosier, Amber M, Wayment-Steele, Hannah K, Shine, Ryan S, Park, Aileen, Webster, Elizabeth R, Johnson, Lewis E, Johal, Malkiat S, Benz, Lauren

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The Near-Sightedness of Many-Body Interactions in Anharmonic Vibrational Couplings von Spencer, Ryan J., Zhanserkeev, Asylbek A., Yang, Emily L., Steele, Ryan P.

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Pitfalls in the n-mode representation of vibrational potentials von Yang, Emily L., Talbot, Justin J., Spencer, Ryan J., Steele, Ryan P.

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Monitoring Water Clusters “Melt” Through Vibrational Spectroscopy von Brown, Sandra E, Götz, Andreas W, Cheng, Xiaolu, Steele, Ryan P, Mandelshtam, Vladimir A, Paesani, Francesco

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Accelerating Anharmonic Spectroscopy Simulations via Local-Mode, Multilevel Methods von Zhanserkeev, Asylbek A., Yang, Emily L., Steele, Ryan P.

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Structural, Thermodynamic, and Spectroscopic Evolution in the Hydration of Copper(II) Ions, Cu2+(H2O)2−8 von Christensen, Elizabeth G., Steele, Ryan P.

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Experimental and Computational Investigation of the IDDSI Flow Test of Liquids Used in Dysphagia Management von Hanson, Ben, Jamshidi, Rashid, Redfearn, Andrew, Begley, Ryan, Steele, Catriona M.

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Multiple-Timestep ab Initio Molecular Dynamics Using an Atomic Basis Set Partitioning von Steele, Ryan P

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Structural, Thermodynamic, and Spectroscopic Evolution in the Hydration of Copper(II) Ions, Cu 2+ (H 2 O) 2-8 von Christensen, Elizabeth G, Steele, Ryan P

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Tuning vibrational mode localization with frequency windowing von Cheng, Xiaolu, Talbot, Justin J., Steele, Ryan P.

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Ion–Radical Pair Separation in Larger Oxidized Water Clusters, (H2O)+ n=6–21 von Herr, Jonathan D, Steele, Ryan P

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Accelerating and stabilizing the convergence of vibrational self-consistent field calculations via the direct inversion of the iterative subspace (vDIIS) algorithm von Yang, Emily L., Spencer, Ryan J., Zhanserkeev, Asylbek A., Talbot, Justin J., Steele, Ryan P.

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Molecular Motion in the Interconverting σ-H2, Di-, and Tri-hydride Regimes: Mo(PH3)5H2 von Reese, Diana L, Steele, Ryan P

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Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst von Schlenker, Kevin, Christensen, Elizabeth G, Zhanserkeev, Asylbek A, McDonald, Gabriel R, Yang, Emily L, Lutz, Kevin T, Steele, Ryan P, VanderLinden, Ryan T, Saouma, Caroline T

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Communication: Multiple-timestep ab initio molecular dynamics with electron correlation von Steele, Ryan P

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