Non-Born-Oppenheimer molecular dynamics of Na...FH photodissociation.
Journal Article
·
· Journal of Chemical Physics
Abstract not provided.
- Research Organization:
- Sandia National Lab. (SNL-CA), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE National Nuclear Security Administration (NNSA)
- DOE Contract Number:
- DE-AC04-94AL85000
- OSTI ID:
- 1147252
- Report Number(s):
- SAND2007-5602J; 521685
- Journal Information:
- Journal of Chemical Physics, Vol. 127, Issue 19; Related Information: Proposed for publication in Journal of Chemical Physics.; ISSN 0021-9606
- Publisher:
- American Institute of Physics (AIP)
- Country of Publication:
- United States
- Language:
- English
Similar Records
Non-Born-Oppenheimer molecular dynamics of the spin-forbidden reaction O(3P) %2B CO(X1S%2B) %257E%3E CO2(X?1S%2Bg).
Roaming Dynamics: the Dominant Pathway to Molecular Products in Acetaldehyde Photodissociation.
Higher-Order Extended Lagrangian Born–Oppenheimer Molecular Dynamics for Classical Polarizable Models
Journal Article
·
Thu Aug 01 00:00:00 EDT 2013
· The Journal of Chemical Physica
·
OSTI ID:1147252
Roaming Dynamics: the Dominant Pathway to Molecular Products in Acetaldehyde Photodissociation.
Journal Article
·
Tue Apr 01 00:00:00 EDT 2008
· Proceedings of the National Academy of Sciences
·
OSTI ID:1147252
+5 more
Higher-Order Extended Lagrangian Born–Oppenheimer Molecular Dynamics for Classical Polarizable Models
Journal Article
·
Tue Jan 09 00:00:00 EST 2018
· Journal of Chemical Theory and Computation
·
OSTI ID:1147252