Csaba Fábri

works on

hydrogen exchange reaction 1 nuclear spin symmetry 1 quantum reaction dynamics 1 rovibrational Hamiltonian 1 thermal rate coefficients 1

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physics.chem-ph2026

Efficient, direct calculation of reaction rate coefficients based on a partially rearranged rovibrational Hamiltonian. A full-dimensional case study of the H $_{2}$ + D $\to$ HD + H reaction

GÃ¡bor A. Ecseri, Attila G. CsÃ¡szÃ¡r, Csaba FÃ¡bri

The authors introduce a partially rearranged rovibrational Hamiltonian that enables efficient, fully quantum mechanical calculation of thermal reaction rate coefficients, and they…

Efficient, direct calculation of reaction rate coefficients based on a partially rearranged rovibrational Hamiltonian. A full-dimensional case study of the H2​ + D → HD + H reaction

Efficient, direct calculation of reaction rate coefficients based on a partially rearranged rovibrational Hamiltonian. A full-dimensional case study of the H $_{2}$ + D $\to$ HD + H reaction