Publications by authors named "Judith Rommel"

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Quantum Tunneling Rates of Gas-Phase Reactions from On-the-Fly Instanton Calculations.
Adrian N Beyer, Jeremy O Richardson, Peter J Knowles, Judith Rommel, Stuart C Althorpe

J Phys Chem Lett· November 2016

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Shallow-tunnelling correction factor for use with Wigner-Eyring transition-state theory.
Yanchuan Zhang, Judith B Rommel, Marko T Cvitaš, Stuart C Althorpe

Phys Chem Chem Phys· November 2014

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Reaction mechanism of the bicopper enzyme peptidylglycine α-hydroxylating monooxygenase.
Enrique Abad, Judith B Rommel, Johannes Kästner

J Biol Chem· May 2014

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Role of tunneling in the enzyme glutamate mutase.
Judith B Rommel, Yu Liu, Hans-Joachim Werner, Johannes Kästner

J Phys Chem B· November 2012

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Kinetic isotope effects calculated with the instanton method.
Jan Meisner, Judith B Rommel, Johannes Kästner

J Comput Chem· December 2011

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The fragmentation-recombination mechanism of the enzyme glutamate mutase studied by QM/MM simulations.
Judith B Rommel, Johannes Kästner

J Am Chem Soc· July 2011

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Adaptive integration grids in instanton theory improve the numerical accuracy at low temperature.
Judith B Rommel, Johannes Kästner

J Chem Phys· May 2011

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Locating Instantons in Many Degrees of Freedom.
Judith B Rommel, T P M Goumans, Johannes Kästner

J Chem Theory Comput· March 2011

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