Through incremental change, Nature reworks and repurposes its functional machinery. In this way, proteins that photochemically repair DNA by moving protons and electrons have a …
A Bose, N Makri - International Journal of Quantum Chemistry, 2021 - Wiley Online Library
Quantum‐classical formulations of reactive flux correlation functions require the partial Weyl– Wigner transform of the thermalized flux operator, whose numerical evaluation is unstable …
Recent experiments demonstrate the control of chemical reactivities by coupling molecules inside an optical microcavity. In contrast, transition state theory predicts no change of the …
Polariton chemistry has emerged as an appealing branch of synthetic chemistry that promises mode selectivity and a cleaner approach to kinetic control. Of particular interest are …
PY Yang, J Cao - The Journal of Physical Chemistry Letters, 2021 - ACS Publications
The electromagnetic field in an optical cavity can dramatically modify and even control chemical reactivity via vibrational strong coupling (VSC). Since the typical vibration and …
The calculation of rate coefficients is a discipline of nonlinear science of importance to much of physics, chemistry, engineering, and biology. Fifty years after Kramers' seminal paper on …
GA Pavliotis - Texts in applied mathematics, 2014 - Springer
The purpose of this book is to present various results and techniques from the theory of stochastic processes and in particular diffusion processes that are useful in the study of …
DG Truhlar, BC Garrett… - The Journal of physical …, 1996 - ACS Publications
We present an overview of the current status of transition-state theory and its generalizations. We emphasize (i) recent improvements in available methodology for …
X Li, A Mandal, P Huo - The Journal of Physical Chemistry Letters, 2021 - ACS Publications
Recent experiments have demonstrated remarkable mode-selective reactivities by coupling molecular vibrations with a quantized radiation field inside an optical cavity. The …