Cargando…
Assessment of a variety of dispersion-corrected density functional theory calculations used in molecular crystal structure prediction
Autores principales: | Doser, Bernd, Neumann, Marcus A |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
BioMed Central
2012
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3341297/ http://dx.doi.org/10.1186/1758-2946-4-S1-O15 |
Ejemplares similares
-
Validation of experimental molecular crystal structures with dispersion-corrected density functional theory calculations
por: van de Streek, Jacco, et al.
Publicado: (2010) -
Validation of molecular crystal structures from powder diffraction data with dispersion-corrected density functional theory (DFT-D)
por: van de Streek, Jacco, et al.
Publicado: (2014) -
Performance of dispersion-corrected density functional theory for thermochemistry and non-covalent interactions
por: Hujo, Waldemar, et al.
Publicado: (2012) -
The crystal structures of PKG Iβ (92-227) with cGMP and cAMP reveal the molecular details of cyclic-nucleotide binding
por: Kim, Jeong Joo, et al.
Publicado: (2011) -
Soluble guanylate cyclase crystal clear: 1(st) crystal structure of the wild-type human heterodimeric sGC catalytic domains and implications for activity
por: Seeger, Franziska, et al.
Publicado: (2013)