Wyszukiwarka
Wyniki wyszukiwania dla: OpenMolcas
Wyświetlane wyniki pochodzą z wyszukiwania alternatywnego.
Filtry
wszystkich: 1
Wyniki wyszukiwania dla: OpenMolcas
-
The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Dane BadawczeThe developments of the open-source OpenMolcas chemistry software environment since spring 2020 are described, with a focus on novel functionalities accessible in the stable branch of the package or via interfaces with other packages. These developments span a wide range of topics in computational chemistry and are presented in thematic sections: electronic...