Researchclopedia

Research Researchers Institutions Topics Submit About

Command Palette

Search for a command to run...

Researchclopedia

Research Researchers Institutions About

© 2026 Researchclopedia. Powered by OpenAlex under CC0 license.

Back to research

MOLCAS: a program package for computational chemistry

20031,742 citationsJournal Article

Authors

Gunnar Karlström · Institute of Theoretical Physics

Roland Lindh · Institute of Theoretical Physics

Per‐Åke Malmqvist · Institute of Theoretical Physics

Björn O. Roos · Institute of Theoretical Physics

Ulf Ryde · Institute of Theoretical Physics

Valera Veryazov · Institute of Theoretical Physics

Per‐Olof Widmark

Topics & Keywords

Advanced Chemical Physics Studies Catalysis and Oxidation Reactions Atmospheric Ozone and Climate

UN Sustainable Development Goals

Affordable and clean energy

Publication Details

Published in: Computational Materials Science

Volume 28, Issue 2, pp. 222-239

DOI: 10.1016/s0927-0256(03)00109-5

Field-Weighted Citation Impact: 31.65

MOLCAS: a program package for computational chemistry | Researchclopedia

· Institute of Theoretical Physics

Maurizio Cossi · University of Naples Federico II

Bernd Schimmelpfennig · Stockholm University

Pavel Neogrády · Comenius University Bratislava

Luis Seijo · Universidad Autónoma de Madrid