Dynamics at conical intersections
The nonadiabatic coupling of electronic and vibrational degrees of freedom is the defining
feature of electronically excited states of polyatomic molecules. Once considered a …
feature of electronically excited states of polyatomic molecules. Once considered a …
Recent advances in quantum dynamics of bimolecular reactions
DH Zhang, H Guo - Annual review of physical chemistry, 2016 - annualreviews.org
In this review, we survey the latest advances in theoretical understanding of bimolecular
reaction dynamics in the past decade. The remarkable recent progress in this field has been …
reaction dynamics in the past decade. The remarkable recent progress in this field has been …
Stereodynamical control of the H + HD → H2 + D reaction through HD reagent alignment
Y Wang, J Huang, W Wang, T Du, Y ** of molecules provides unique opportunities for control of chemical
reactions at a wide range of rotational energies. This work reports a chemical reaction with …
reactions at a wide range of rotational energies. This work reports a chemical reaction with …
Recent advances in quantum scattering calculations on polyatomic bimolecular reactions
B Fu, X Shan, DH Zhang, DC Clary - Chemical Society Reviews, 2017 - pubs.rsc.org
This review surveys quantum scattering calculations on chemical reactions of polyatomic
molecules in the gas phase published in the last ten years. These calculations are useful …
molecules in the gas phase published in the last ten years. These calculations are useful …
Dynamics in reactions on metal surfaces: A theoretical perspective
Recent advances in theoretical characterization of reaction dynamics on metal surfaces are
reviewed. It is shown that the widely available density functional theory of metals and their …
reviewed. It is shown that the widely available density functional theory of metals and their …
Vibrational control of bimolecular reactions with methane by mode, bond, and stereo selectivity
K Liu - Annual review of physical chemistry, 2016 - annualreviews.org
Vibrational motions of a polyatomic molecule are multifold and can be as simple as stretches
or bends or as complex as concerted motions of many atoms. Different modes of excitation …
or bends or as complex as concerted motions of many atoms. Different modes of excitation …