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2020
Mark Modern quantum chemistry with [Open]Molcas
Aquilante, Francesco ^LU ; Autschbach, Jochen ; Baiardi, Alberto ; Battaglia, Stefano ; Borin, Veniamin A. ; Chibotaru, Liviu F. ; Conti, Irene ; De Vico, Luca ^LU ; Delcey, Mickaël ^LU and Fdez Galván, Ignacio , et al. (2020) In The Journal of chemical physics 152(21).
- Contribution to journal › Article
Mark Vibrational wavepacket dynamics in Fe carbene photosensitizer determined with femtosecond X-ray emission and scattering
Kunnus, Kristjan ; Vacher, Morgane ; Harlang, Tobias C.B. ^LU ; Kjær, Kasper S. ^LU ; Haldrup, Kristoffer ; Biasin, Elisa ; van Driel, Tim B. ; Pápai, Mátyás ; Chabera, Pavel ^LU and Liu, Yizhu ^LU , et al. (2020) In Nature Communications 11.
- Contribution to journal › Article
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

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