Cargando…
Retracted Article: A highest stable cluster Au(58) (C(1)) re-optimized via a density-functional tight-binding (DFTB) approach
The vibrational spectrum ω(i) of a re-optimized neutral gold cluster Au(58) has been calculated using a numerical finite-difference approach and the density-functional tight-binding (DFTB) method. We have exactly predicted the vibrational frequency ranging from 3.88 through to 304.49 cm(−1) which de...
Autores principales: | Vishwanathan, K., Springborg, M. |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
The Royal Society of Chemistry
2018
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9079119/ https://www.ncbi.nlm.nih.gov/pubmed/35542769 http://dx.doi.org/10.1039/c7ra13171b |
Ejemplares similares
-
Retraction: A highest stable cluster Au(58) (C(1)) re-optimized via a density-functional tight-binding (DFTB) approach
por: Shore, Andrew
Publicado: (2018) -
Structural Properties
of Metal–Organic Frameworks
at Elevated Thermal Conditions via a Combined Density Functional Tight
Binding Molecular Dynamics (DFTB MD) Approach
por: Purtscher, Felix R. S., et al.
Publicado: (2023) -
Curvature Constrained Splines for DFTB Repulsive Potential
Parametrization
por: Ammothum Kandy, Akshay Krishna, et al.
Publicado: (2021) -
Thin Graphene–Nanotube Films for Electronic and Photovoltaic Devices: DFTB Modeling
por: Kolosov, Dmitry A., et al.
Publicado: (2020) -
Atomic Simulations of (8,0)CNT-Graphene by SCC-DFTB Algorithm
por: Wei, Lina, et al.
Publicado: (2022)