Search Results - "Anderson, Michelle C."
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On the Mechanism of Polaritonic Rate Suppression from Quantum Transition Paths
Published in The journal of physical chemistry letters (03-08-2023)“…Polariton chemistry holds promise for facilitating mode-selective chemical reactions, but the underlying mechanism behind the rate modifications observed under…”
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2
Mie 16–6 force field predicts viscosity with faster-than-exponential pressure dependence for 2,2,4-trimethylhexane
Published in Fluid phase equilibria (01-09-2019)“…In response to the 10th Industrial Fluid Properties Simulation Challenge, we report viscosity (η) estimates obtained with equilibrium molecular dynamics for…”
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Transdermal estrogens in the changing landscape of hormone replacement therapy
Published in Postgraduate medicine (18-08-2017)“…Views and clinical practice on hormone replacement therapy (HRT) for postmenopausal women have varied widely over the last several decades. The 1990s showed a…”
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Improvements and limitations of Mie λ-6 potential for prediction of saturated and compressed liquid viscosity
Published in Fluid phase equilibria (15-03-2019)“…Over the past decade, the Mie λ-6 (generalized Lennard-Jones) potential has grown in popularity due to its improved accuracy for predicting vapor-liquid…”
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5
Nonadiabatic transition paths from quantum jump trajectories
Published 03-08-2022“…We present a means of studying rare reactive pathways in open quantum systems using Transition Path Theory and ensembles of quantum jump trajectories. This…”
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Coherent control from quantum committment probabilities
Published 28-03-2024“…We introduce a general definition of a quantum committor in order to clarify reaction mechanisms and facilitate control in processes where coherent effects are…”
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7
On the mechanism of polaritonic rate suppression from quantum transition paths
Published 25-04-2023“…Polariton chemistry holds promise for facilitating mode-selective chemical reactions, but the underlying mechanism behind the rate modifications observed under…”
Get full text
Journal Article