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Ab-initio-based kinetic modeling to understand RAFT exchange : the case of 2-Cyano-2-Propyl Dodecyl Trithiocarbonate and Styrene
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- PhD Thesis
- open access
Ab initio based modeling for the synthesis of RAFT polymers and their modifications
(2017) -
Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization
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Thiol-Michael addition in polar aprotic solvents : nucleophilic initiation or base catalysis?
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- Conference Paper
- C3
- open access
Computational and kinetic study of the thiol and aza Michael addition
(2016) -
- Conference Paper
- C3
- open access
Quantitative first principles based kinetic modeling for the synthesis of well-defined macromolecular architectures
(2016) -
Computational Investigation of the Aminolysis of RAFT Macromolecules
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Quantitative first-principles kinetic modeling of the aza-Michael addition to acrylates in polar aprotic solvents
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Kinetic study of the Aminolysis of Thiolactones
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Computational study of the aminolysis of thiolactones