News Help Institutional access

Search academic resources

Explore institutional catalogs, electronic resources, open-access journals, available collections, and academic access links.

Advanced search
What NODOVOX Discovery brings together: Institutional catalogs, electronic resources, open-access journals, available collections, and academic access links.
forensic medicine law journals Open Access full text

Results

2 results found.

Resource types: Print book E-book Article Journal Thesis Chapter
Academic search
Multiwfn: A multifunctional wavefunction analyzer
Article
Article
Multiwfn: A multifunctional wavefunction analyzer
Tian Lu; Feiwu Chen · Journal of Computational Chemistry · 2011
Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, i...
Idioma English
El enlace apunta a material asociado, anexos, tablas, datos o página complementaria. No se marca como libro/texto completo.
Material complementario
Ver opciones de acceso Bibliographic record
Effect of the damping function in dispersion corrected density functional theory
Article
Article
Effect of the damping function in dispersion corrected density functional theory
Stefan Grimme; Stephan Ehrlich; Lars Goerigk · Journal of Computational Chemistry · 2011
It is shown by an extensive benchmark on molecular energy data that the mathematical form of the damping function in DFT-D methods has only a minor impact on the quality of the results. For 12 different functionals, a st...
Idioma English
Página del recurso disponiblePágina de referencia del recurso. El texto completo no está confirmado automáticamente.
Página del recurso
Ver opciones de acceso Bibliographic record
NODITO
Asistencia de búsqueda académica
Te ayudo a buscar, encontrar y acceder a recursos académicos.
Consultar con NODITO
¿Qué necesitás hacer?
Consultas rápidas
NODITO Asistencia contextual NDX