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Vibrational State-to-State Scattering of Water from Cu(111): Comparison of Quantum and Quasiclassical Methods with Normal Mode and Adiabatic Switching Sampling
- Source :
- The Journal of Physical Chemistry C. 125:4995-5005
- Publication Year :
- 2021
- Publisher :
- American Chemical Society (ACS), 2021.
-
Abstract
- Vibrational energy transfer of a polyatomic molecule upon collision at a solid surface is of fundamental importance in surface chemistry. As a full quantum treatment of this process is extremely ch...
- Subjects :
- Surface (mathematics)
Scattering
Sampling (statistics)
02 engineering and technology
State (functional analysis)
010402 general chemistry
021001 nanoscience & nanotechnology
Collision
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
General Energy
Normal mode
Physics::Atomic and Molecular Clusters
Physics::Chemical Physics
Physical and Theoretical Chemistry
Atomic physics
0210 nano-technology
Adiabatic process
Quantum
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 125
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi...........52d690bf2c68fbffbd57da0a16a3aa5d
- Full Text :
- https://doi.org/10.1021/acs.jpcc.1c00160