Chemical dynamics from the gas‐phase to surfaces
The field of gas‐phase chemical dynamics has developed superb experimental methods to
probe the detailed outcome of gas‐phase chemical reactions. These experiments inspired …
probe the detailed outcome of gas‐phase chemical reactions. These experiments inspired …
Cold quantum-controlled rotationally inelastic scattering of HD with H2 and D2 reveals collisional partner reorientation
WE Perreault, N Mukherjee, RN Zare - Nature chemistry, 2018 - nature.com
Molecular interactions are best probed by scattering experiments. Interpretation of these
studies has been limited by lack of control over the quantum states of the incoming collision …
studies has been limited by lack of control over the quantum states of the incoming collision …
Inelastic scattering of H atoms from surfaces
O Bünermann, A Kandratsenka… - The Journal of Physical …, 2021 - ACS Publications
We have developed an instrument that uses photolysis of hydrogen halides to produce
nearly monoenergetic hydrogen atom beams and Rydberg atom tagging to obtain accurate …
nearly monoenergetic hydrogen atom beams and Rydberg atom tagging to obtain accurate …
The entrance complex, transition state, and exit complex for the F+ H2O→ HF+ OH reaction. Definitive predictions. Comparison with popular density functional …
G Li, L Zhou, QS Li, Y Xie, HF Schaefer - Physical Chemistry Chemical …, 2012 - pubs.rsc.org
Following the H+ H2 and F+ H2 reactions, the fluorine atom–water system has the potential
to become one of the best understood chemical reactions. Stationary points for the F+ H2O …
to become one of the best understood chemical reactions. Stationary points for the F+ H2O …
Is the simplest chemical reaction really so simple?
Modern computational methods have become so powerful for predicting the outcome for the
H+ H2→ H2+ H bimolecular exchange reaction that it might seem further experiments are …
H+ H2→ H2+ H bimolecular exchange reaction that it might seem further experiments are …
Time-dependent quantum mechanical wave packet dynamics
N Sathyamurthy, S Mahapatra - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Starting from a model study of the collinear (H, H2) exchange reaction in 1959, the time-
dependent quantum mechanical wave packet (TDQMWP) method has come a long way in …
dependent quantum mechanical wave packet (TDQMWP) method has come a long way in …
Seemingly Anomalous Angular Distributions in H + D2 Reactive Scattering
J Jankunas, RN Zare, F Bouakline, SC Althorpe… - Science, 2012 - science.org
When a hydrogen (H) atom approaches a deuterium (D2) molecule, the minimum-energy
path is for the three nuclei to line up. Consequently, nearly collinear collisions cause HD …
path is for the three nuclei to line up. Consequently, nearly collinear collisions cause HD …
Differential Cross Sections for the H + D2 → HD(v′ = 3, j′ = 4–10) + D Reaction above the Conical Intersection
H Gao, M Sneha, F Bouakline… - The Journal of …, 2015 - ACS Publications
We report rovibrationally selected differential cross sections (DCSs) of the benchmark
reaction H+ D2→ HD (v′= 3, j′= 4–10)+ D at a collision energy of 3.26 eV, which exceeds …
reaction H+ D2→ HD (v′= 3, j′= 4–10)+ D at a collision energy of 3.26 eV, which exceeds …
Disagreement between theory and experiment grows with increasing rotational excitation of HD (v′, j′) product for the H+ D2 reaction
The Photoloc technique has been employed to measure the state-resolved differential cross
sections of the HD (v′, j′) product in the reaction H+ D 2 over a wide range of collision …
sections of the HD (v′, j′) product in the reaction H+ D 2 over a wide range of collision …
Is There an Entrance Complex for the F+NH3 Reaction?
H Feng, W Sun, Y Xie… - Chemistry–An Asian …, 2011 - Wiley Online Library
Challenges associated with the theoretical and experimental kinetics of the F+ NH3→ HF+
NH2 reaction suggest the need for a more‐precise potential surface. We have investigated …
NH2 reaction suggest the need for a more‐precise potential surface. We have investigated …