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S. Yadav

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Sep 2026

Quantum and Quasiclassical Dynamics of the S + SD Reaction: Role of Reagent Vibrational Excitation.

The S(3P) + SD(X2Π) reaction is investigated on the ground electronic HS2 potential energy surface (PES) using time-dependent wave packet (TDWP) and quasiclassical trajectory (QCT) methods. Initial state-selected reaction probabilities and integral cross sections are calculated for abstraction and exchange channels at...

Suraj Kumar, S. Yadav, A. J. C. Varandas et al. · 0 citations

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