Search results for: MOLECULAR PROCESSES

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Year of publication
- 2023
Discipline
- Natural sciences
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- Faculty of Mathematics, Physics and Info...
- Gdańsk University of Technology
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- MOST DANYCH
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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry
Open Research Data
open access
- M. Krośnicki
The 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...

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The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry