Electronic nonadiabatic effects in the state-to-state dynamics of the H+ H 2→ H 2+ H exchange reaction with a vibrationally excited reagent
J Sahoo, S Mahapatra - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
Out of the many major breakthroughs that the hydrogen-exchange reaction has led to,
electronic nonadiabatic effects that are mainly due to the geometric phase has intrigued …
electronic nonadiabatic effects that are mainly due to the geometric phase has intrigued …
Quantum and quasi-classical dynamics of the C (3 P)+ O 2 (3 Σ− g)→ CO (1 Σ+)+ O (1 D) reaction on its electronic ground state
The dynamics of the C (3P)+ O2 (3Σ− g)→ CO (1Σ+)+ O (1D) reaction on its electronic
ground state is investigated by using time-dependent wave packet propagation (TDWP) and …
ground state is investigated by using time-dependent wave packet propagation (TDWP) and …
Combined Quantum Mechanical and Quasi-Classical State-to-State Dynamical Study on the Isotopic Effect in H/D + LiH+/LiD+ → H2/HD/D2 + Li+ Reactions
Coriolis-coupled quantum mechanical (QM-CC) and quasi-classical trajectory (QCT)
calculations are carried out to investigate the dynamics of the H (D)+ LiH+ (v= 0, j= 0)→ H2 …
calculations are carried out to investigate the dynamics of the H (D)+ LiH+ (v= 0, j= 0)→ H2 …
Unraveling the effect of reagent vibrational excitation on the scattering mechanism of the benchmark H+ H 2→ H 2+ H hydrogen exchange reaction in the coupled 1 2 …
The hydrogen exchange reaction, H+ H2→ H2+ H, along with its isotopic variants, has been
the cornerstone for the development of new and novel dynamical mechanisms of gas-phase …
the cornerstone for the development of new and novel dynamical mechanisms of gas-phase …
[HTML][HTML] On the use of stereodynamical effects to control cold chemical reactions: The H+ D2⟷ D+ HD case study
H Da Silva, BK Kendrick, N Balakrishnan - The Journal of Chemical …, 2022 - pubs.aip.org
Quantum calculations are reported for the stereodynamic control of the H+ D 2↔ D+ HD
chemical reaction in the energy range of 1–50 K. Stereodynamic control is achieved by a …
chemical reaction in the energy range of 1–50 K. Stereodynamic control is achieved by a …
Inelastic, exchange, and reactive processes in rovibrationally excited collisions of HD with H
B Zhou, B Yang, N Balakrishnan… - Monthly Notices of …, 2021 - academic.oup.com
The HD molecule is an important coolant in early universe chemistry models and a tracer of
H2 in star-forming regions. Rate coefficients for collisional excitation and de-excitation of HD …
H2 in star-forming regions. Rate coefficients for collisional excitation and de-excitation of HD …