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Chemical Theory and Modelling Group
PSL University - Chimie ParisTech
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Latest Publications
Comparison of structural dynamics and coherence of d–d and MLCT light-induced spin state trapping
Chemical Science 2017, 8, 4978-4986 DOI: 10.1039/C6SC05624E Light Induced Excited Spin State Trapping (LIESST) in FeII spin-crossover...
Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potentia
Journal of Computational Chemistry 2017, 38 (14), 1084-1092 DOI: 10.1002/jcc.24780 The performances, in the description of excited state...
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