Vibrational relaxation and microsolvation of DF after F-atom reactions in polar solvents von Dunning, G. T., Glowacki, D. R., Preston, T. J., Greaves, S. J., Greetham, G. M., Clark, I. P., Towrie, M., Harvey, J. N., Orr-Ewing, A. J.

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Quasi-classical trajectory study of the dynamics of the Cl + CH4 → HCl + CH3 reaction von GREAVES, S. J, ROSE, R. A, ABOU-CHAHINE, F, GLOWACKI, D. R, TROYA, D, ORR-EWING, A. J

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Reaction dynamics of CN radicals with tetrahydrofuran in liquid solutions von ROSE, R. A, GREAVES, S. J, ABOU-CHAHINE, F, GLOWACKI, D. R, OLIVER, T. A. A, ASHFOLD, M. N. R, CLARK, I. P, GREETHAM, G. M, TOWRIE, M, ORR-EWING, A. J

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ChemDyME: Kinetically Steered, Automated Mechanism Generation through Combined Molecular Dynamics and Master Equation Calculations von Shannon, RJ, Martínez-Núñez, E, Shalashilin, DV, Glowacki, DR

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Exploring human-guided strategies for reaction network exploration: Interactive molecular dynamics in virtual reality as a tool for citizen scientists von Shannon, RJ, Deeks, HM, Burfoot, E, Clark, E, Jones, AJ, Mulholland, AJ, Glowacki, DR

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Computing power revolution and new algorithms: GP-GPUs, clouds and more: general discussion von McIntosh-Smith, Tchertanov, Nerukh, Stone, Baaden, Hayward, Glowacki, Olson, Zoppè, Petrov, Hall, Reiher, Brancale, Haag, O'Donoghue, Brooks, Raffin, Iakovou, Chavent, Montes, Baker, Thomas, Woods, Hirst

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Virtual and augmented reality immersive molecular simulations: general discussion von Hirst, Johnson, Zheng, Rozmanov, Zoppè, Hall, O'Donoghue, Proctor, Glowacki, Delalande, Brancale, Baaden, Stone, Brooks, Olson, Chavent, Haag, Krone, Kouyoumdjian, Levieux, Reiher, Fowler, Raffin, Montes, Dreher

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Advanced visualization and visual analytics: general discussion von Proctor, Ertl, Petrov, O'Donoghue, Brooks, Hirst, Stone, Krone, Zoppè, Hall, Baaden, Reiher, Sommer, Fowler, Rozmanov, Glowacki

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Design of and initial results from a Highly Instrumented Reactor for Atmospheric Chemistry (HIRAC) von Glowacki, D. R., Goddard, A., Hemavibool, K., Malkin, T. L., Commane, R., Anderson, F., Bloss, W. J., Heard, D. E., Ingham, T., Pilling, M. J., Seakins, P. W.

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Adaptively accelerating reactive molecular dynamics using boxed molecular dynamics in energy space von Shannon, RJ, Amabilino, S, O'Connor, M, Shalashilin, DV, Glowacki, DR

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Adaptive free energy sampling in multidimensional collective variable space using boxed molecular dynamics von O'Connor, M, Paci, E, McIntosh-Smith, S, Glowacki, DR

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AutoMeKin2021 : An open‐source program for automated reaction discovery von Martínez‐Núñez, E, Barnes, GL, Glowacki, DR, Kopec, S, Peláez, D, Rodríguez, A, Rodríguez‐Fernández, R, Shannon, RJ, Stewart, JJP, Tahoces, PG, Vazquez, SA

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O2(a1Δg) + Mg, Fe, and Ca: experimental kinetics and formulation of a weak collision, multiwell master equation with spin-hopping von Plane, JM, Whalley, CL, Frances-Soriano, L, Goddard, A, Harvey, JN, Glowacki, DR, Viggiano, AA

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Design of and initial results from a highly instrumented reactor for atmospheric chemistry (HIRAC) von Glowacki, DR, Goddard, A, Hemavibool, K, Malkin, T L, Commane, R, Ander son, F, Bloss, W J, Heard, DE, Ingham, T, Pilling, MJ, Seakins, P W

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Obituary: Dr. Robert J. Wootton (1942-2014) von Przybylski, Miroslaw, Glowacki, Lukasz

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Immuno-Electrophoretic Studies of Lolio-Festuca Alloploidand its Parental Species1)1)Published in honor of the occasion of the 70th birthday of our respected instructor Prof. Dr. Dr. h. c. multo K. Mothes von Prus-Glowacki, W., Sulinowski, S., Nowacki, E.

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Interactive molecular dynamics in virtual reality from quantum chemistry to drug binding: An open-source multi-person framework von O’Connor, Michael B., Bennie, Simon J., Deeks, Helen M., Jamieson-Binnie, Alexander, Jones, Alex J., Shannon, Robin J., Walters, Rebecca, Mitchell, Thomas J., Mulholland, Adrian J., Glowacki, David R.

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Free energy along drug-protein binding pathways interactively sampled in virtual reality von Deeks, Helen M., Zinovjev, Kirill, Barnoud, Jonathan, Mulholland, Adrian J., van der Kamp, Marc W., Glowacki, David R.

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The evolution of peace (and war) is driven by an elementary social interaction mechanism von Fischer, Ilan, Avrashi, Shacked, Savranevski, Lior

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Treg-recruiting microspheres prevent inflammation in a murine model of dry eye disease von Ratay, Michelle L., Glowacki, Andrew J., Balmert, Stephen C., Acharya, Abhinav P., Polat, Julia, Andrews, Lawrence P., Fedorchak, Morgan V., Schuman, Joel S., Vignali, Dario A.A., Little, Steven R.

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