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LCMD - Laboratory of Computational Molecular Design

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LCMD - Laboratory of Computational Molecular Design	287 records found 1 - 10	Search took 0.18 seconds.

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1.	Benchmarking machine-readable vectors of chemical reactions on computed activation barriers Van Gerwen, Puck Elisabeth ; Briling, Ksenia R. ; Calvino Alonso, Yannick ; Franke, Malte[...] Digital Discovery (2024) 07 March 2024 \| Journal Articles \| Detailed record - Similar records
2.	From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials Celerse, Frederic ; Wodrich, Matthew D. ; Vela, Sergi ; Gallarati, Simone[...] Journal Of Chemical Information And Modeling, 64 (4), 1201-1212 (2024) 06 February 2024 \| Journal Articles \| Detailed record - Similar records
3.	PDF Encoding quantum-chemical knowledge into machine-learning models of complex molecular properties Briling, Ksenia ; Corminboeuf, Anne-Clémence 2024 \| Theses \| Detailed record - Similar records
4.	Enhanced inverted singlet-triplet gaps in azaphenalenes and non-alternant hydrocarbons Garner, Marc H. ; Blaskovits, J. Terence ; Corminboeuf, Clemence Chemical Communications, 60 (15), 2070-2073 (2024) 15 January 2024 \| Journal Articles \| Detailed record - Similar records
5.	Data-Driven Discovery of Organic Electronic Materials Enabled by Hybrid Top-Down/Bottom-Up Design Blaskovits, J. Terence ; Laplaza, Ruben ; Vela, Sergi ; Corminboeuf, Clemence Advanced Materials (2023) 23 November 2023 \| Journal Articles \| Detailed record - Similar records
6.	PDF d3sc03409g Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps Garner, Marc H. ; Blaskovits, J. Terence ; Corminboeuf, Clemence Chemical Science, 14 (38), 10458-10466 (2023) 04 October 2023 \| Journal Articles \| Detailed record - Similar records
7.	Double-bond delocalization in non-alternant hydrocarbons induces inverted singlet-triplet gaps Garner, Marc H. ; Blaskovits, J. Terence ; Corminboeuf, Clemence Chemical Science (2023) 07 September 2023 \| Journal Articles \| Detailed record - Similar records
8.	PDF EPFL_TH10610 Enriching the Computational Toolbox for Organocatalysis Gallarati, Simone ; Corminboeuf, Anne-Clémence 2023 \| Theses \| Detailed record - Similar records
9.	PDF EPFL_TH10345 Data-driven design of organic electronic materials Blaskovits, Jacob Terence ; Corminboeuf, Anne-Clémence 2023 \| Theses \| Detailed record - Similar records
10.	PDF biotech-12-00015-v2 Industrial Biotechnology Conservation Processes: Similarities with Natural Long-Term Preservation of Biological Organisms Laurent, Alexis ; Scaletta, Corinne ; Abdel-Sayed, Philippe ; Raffoul, Wassim[...] Biotech, 12 (1), 15 (2023) 31 January 2023 \| Journal Articles \| Detailed record - Similar records

LCMD - Laboratory of Computational Molecular Design

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