Steven Vancoillie (Former)

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2019
Mark OpenMolcas : From Source Code to Insight
Fdez. Galván, Ignacio ; Vacher, Morgane ; Alavi, Ali ; Angeli, Celestino ; Aquilante, Francesco ^LU ; Autschbach, Jochen ; Bao, Jie J. ; Bokarev, Sergey I. ; Bogdanov, Nikolay A. and Carlson, Rebecca K. , et al. (2019) In Journal of Chemical Theory and Computation 15(11). p.5925-5964
- Contribution to journal › Scientific review
2016
Mark Potential Energy Surface of the Chromium Dimer Re-re-revisited with Multiconfigurational Perturbation Theory
Vancoillie, Steven ^LU ; Malmqvist, Per-Åke ^LU and Veryazov, Valera ^LU (2016) In Journal of Chemical Theory and Computation 12(4). p.1647-1655
- Contribution to journal › Article
2015
Mark Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table.
Aquilante, Francesco ; Autschbach, Jochen ; Carlson, Rebecca K ; Chibotaru, Liviu F ; Delcey, Mickaël G ; De Vico, Luca ; Fdez Galván, Ignacio ; Ferré, Nicolas ; Frutos, Luis Manuel and Gagliardi, Laura , et al. (2015) In Journal of Computational Chemistry
- Contribution to journal › Article