Cargando…
Performance of dispersion-corrected density functional theory for thermochemistry and non-covalent interactions
Autores principales: | Hujo, Waldemar, Grimme, Stefan |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341294/ http://dx.doi.org/10.1186/1758-2946-4-S1-P56 |
Ejemplares similares
-
The Thermochemistry of London Dispersion-Driven Transition Metal Reactions: Getting the ‘Right Answer for the Right Reason’
por: Hansen, Andreas, et al.
Publicado: (2014) -
Latest developments and applications of double-hybrid density functionals
por: Schwabe, Tobias, et al.
Publicado: (2008) -
Metallurgical thermochemistry
por: Kubaschewski, O, et al.
Publicado: (1967) -
Computational thermochemistry : prediction and estimation of molecular thermodynamics /
Publicado: (1998) -
A Benchmark of Density Functional Approximations For Thermochemistry and Kinetics of Hydride Reductions of Cyclohexanones
por: Deraet, Xavier, et al.
Publicado: (2019)