Csaba Fábri

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Scientific Discovery & Drug Design (1)

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G'abor A. Ecseri (1)Gábor A. Ecseri (1)Attila G. Császár (1)

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Jul 13, 2026

G'abor A. Ecseri +3Jul 13, 2026

Efficient, direct calculation of reaction rate coefficients based on a partially rearranged rovibrational Hamiltonian. A full-dimensional case study of the H$_2$ + D $\rightarrow$ HD + H reaction

A new Hamiltonian formulation reveals that precise treatment of molecular rotation and nuclear spin symmetry dramatically impacts reaction rate coefficients in quantum calculations.

G'abor A. Ecseri, Gábor A. Ecseri, Attila G. Császár +1

Scientific Discovery & Drug Design

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Csaba Fábri

Publication activitypapers/week, last 8 weeks

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