Mode-specific quasi-classical dynamics of the F– + SiH3Cl system

Attila Á. Dékány; Balázs József J. Molnár; Gábor Czakó

doi:10.1039/d5cp04412j

January 1, 2026Physical Chemistry Chemical PhysicsOpen Access

Mode-specific quasi-classical dynamics of the F– + SiH3Cl system

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Key Points

This research aims to explore the reaction dynamics of the F– + SiH3Cl system using detailed simulations.
Conducted mode-specific quasi-classical trajectory simulations
Utilized a full-dimensional, coupled-cluster-quality potential energy surface
Performed simulations at various collision energies
Revealed detailed reaction dynamics and energy transfer mechanisms
Noted variations in outcomes based on collision energies
Provided insights that enhance understanding of gas-phase reactions

Implication

Mode-specific dynamics simulate a gas-phase reaction of F– + SiH3Cl, suggesting new insights into reaction mechanics.

Abstract

We conducted mode-specific quasi-classical trajectory (QCT) simulations of the gas-phase F– + SiH3Cl reaction employing a full-dimensional, coupled-cluster-quality potential energy surface. Simulations were performed at collision energies ranging from 1...

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Cite This Study

Dékány et al. (2026) studied this question.

synapsesocial.com/papers/698c1cd3267fb587c655f9d0 https://doi.org/10.1039/d5cp04412j

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Mode-specific quasi-classical dynamics of the F– + SiH3Cl system

Key Points

Implication

Abstract

Discussion

Cite This Study

Mode-specific quasi-classical dynamics of the F– + SiH3Cl system

Key Points

Implication

Abstract

Discussion

Cite This Study

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