What question did this study set out to answer?

The aim is to understand the dynamics of a double proton transfer reaction through quantum mechanical modeling.

January 17, 2026Physical Chemistry Chemical Physics0 citations

Quantum dynamical concertedness: An entangled trajectory molecular dynamics study

SKSrihari Keshavamurthy AGAanchal Grover

Key Points

The aim is to understand the dynamics of a double proton transfer reaction through quantum mechanical modeling.
Utilized entangled trajectory molecular dynamics simulation
Examined a model potential energy surface with four minima
Analyzed the dynamics of proton transfer reactions
Identified key features of the reaction mechanism
Demonstrated the influence of quantum effects on reaction dynamics

Abstract

We study the dynamics of a model for double proton transfer reaction in order to gain insights into the reaction mechanism. The model potential energy surface exhibits four minima, four...

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Keshavamurthy et al. (Thu,) studied this question.

synapsesocial.com/papers/696b26b2d2a12237a9349f77 https://doi.org/https://doi.org/10.1039/d5cp04657b