Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

By Francesco Aquilante, J. Autschbach, Rebecca K. Carlson, L. Chibotaru, Mickaël G. Delcey, L. Vico, I. F. Galván, N. Ferré, L. Frutos, L. Gagliardi and 28 more. Journal of Computational Chemistry, 2016

1,271 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/48702839b855a02a2db0577882f25a21041be0b3

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In Atomic and Molecular Physics, and Optics

1. A. Zabala‐Lekuona
2. J. Seco
3. E. Colacio

In Spectroscopy

1. A. Zabala‐Lekuona
2. J. Seco
3. E. Colacio

Citations in the corpus

• Single-Molecule Magnets: From Mn12-ac to dysprosium metallocenes, a travel in time (2021, methodology): “The work of some specific authors in this field is remarkable as they were pioneers setting the basis of the extensively used softwares ORCA [112] and MOLCAS [113].”