Crossed beam polyatomic reaction dynamics: recent advances and new insights
Over the past ten years or so, great advances in our understanding of the dynamics of
elementary (bimolecular) polyatomic reactions in the gas-phase have occurred. This has …
elementary (bimolecular) polyatomic reactions in the gas-phase have occurred. This has …
The decay of dispersion interaction and its remarkable effects on the kinetics of activation reactions involving alkyl chains
Q Lu, W Bian - The Journal of Physical Chemistry Letters, 2023 - ACS Publications
The importance of dispersion interactions in many chemical processes is well recognized. It
is known that the dispersion strength would decay with the increasing separation between …
is known that the dispersion strength would decay with the increasing separation between …
van der Waals interactions in bimolecular reactions
J Cao, F Li, W **a, W Bian - Chinese Journal of Chemical Physics, 2019 - pubs.aip.org
The van der Waals (vdW) interaction is very important in fields of physics, biology and
chemistry, and its role in reaction dynamics is an issue of great interest. In this review, we …
chemistry, and its role in reaction dynamics is an issue of great interest. In this review, we …
Stacking interactions in stabilizing supramolecular assembly of M [9C] 2 M complexes: dynamic stability with remarkable nonlinear optical features
Continual attempts have been made to discover excellent nonlinear optical (NLO) materials.
Here, we investigate the role of stacking interactions and van der Waals forces in the …
Here, we investigate the role of stacking interactions and van der Waals forces in the …
Conical intersection–regulated intermediates in bimolecular reactions: Insights from C(1D) + HD dynamics
Y Wu, J Cao, H Ma, C Zhang, W Bian… - Science …, 2019 - science.org
The importance of conical intersections (CIs) in electronically nonadiabatic processes is well
known, but their influence on adiabatic dynamics has been underestimated. Here, through …
known, but their influence on adiabatic dynamics has been underestimated. Here, through …
A theoretical study on excited-state dynamical properties and laser cooling of zinc monohydride including spin-orbit couplings
D Li, F Fayyaz, W Bian - Frontiers in Chemistry, 2024 - frontiersin.org
By means of highly accurate ab initio and dynamical calculations, we identify a suitable laser
cooling candidate that contains a transition metal element, namely zinc monohydride (ZnH) …
cooling candidate that contains a transition metal element, namely zinc monohydride (ZnH) …
Electronic nonadiabatic effects in the state-to-state dynamics of the H+ H 2→ H 2+ H exchange reaction with a vibrationally excited reagent
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 …
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 …
[HTML][HTML] On the formation of van der Waals complexes through three-body recombination
In this work, we show that van der Waals molecules X–RG (where RG is the rare gas atom)
may be created through direct three-body recombination collisions, ie, X+ RG+ RG→ X–RG+ …
may be created through direct three-body recombination collisions, ie, X+ RG+ RG→ X–RG+ …
[HTML][HTML] Classical threshold law for the formation of van der Waals molecules
We study the role of pairwise long-range interactions in the formation of van der Waals
molecules through direct three-body recombination processes A+ B+ B→ AB+ B, based on a …
molecules through direct three-body recombination processes A+ B+ B→ AB+ B, based on a …