Cargando…
Full Dimensional Potential Energy Function and Calculation of State-Specific Properties of the CO+N(2) Inelastic Processes Within an Open Molecular Science Cloud Perspective
A full dimensional Potential Energy Surface (PES) of the CO + N(2) system has been generated by extending an approach already reported in the literature and applied to N(2)-N(2) (Cappelletti et al., 2008), CO(2)-CO(2) (Bartolomei et al., 2012), and CO(2)-N(2) (Lombardi et al., 2016b) systems. The ge...
Autores principales: | Lombardi, Andrea, Pirani, Fernando, Bartolomei, Massimiliano, Coletti, Cecilia, Laganà, Antonio |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Frontiers Media S.A.
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6540877/ https://www.ncbi.nlm.nih.gov/pubmed/31192186 http://dx.doi.org/10.3389/fchem.2019.00309 |
Ejemplares similares
-
Vibrational Energy Transfer in CO+N(2) Collisions: A Database for V–V and V–T/R Quantum-Classical Rate Coefficients
por: Hong, Qizhen, et al.
Publicado: (2021) -
On the importance of full-dimensionality in low-energy molecular scattering calculations
por: Faure, Alexandre, et al.
Publicado: (2016) -
Graphene as Nanocarrier for Gold(I)-Monocarbene Complexes: Strength and Nature of Physisorption
por: Orek, Cahit, et al.
Publicado: (2023) -
Materials Cloud, a platform for open computational science
por: Talirz, Leopold, et al.
Publicado: (2020) -
HEP in the Cloud Computing and Open Science Era
por: Heinrich, Lukas Alexander
Publicado: (2019)