Can in silico calculations assess phototoxicity of non-steroidal anti-inflammatory drugs?
Aguilera-Porta, Neus, Granucci, Giovanni, Muñoz-Muriedas, Jordi, Corral, Ines
Published in Toxicology letters (20.10.2017)
Published in Toxicology letters (20.10.2017)
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Journal Article
Unveiling the photophysics of thiourea from CASPT2/CASSCF potential energy surfaces and singlet/triplet excited state molecular dynamics simulations
Aguilera-Porta, Neus, Granucci, Giovanni, Munoz-Muriedas, Jordi, Corral, Inés
Published in Computational and theoretical chemistry (01.03.2019)
Published in Computational and theoretical chemistry (01.03.2019)
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Journal Article
Excited state dynamics of some nonsteroidal anti-inflammatory drugs: a surface-hopping investigation
Aguilera-Porta, Neus, Corral, Ines, Munoz-Muriedas, Jordi, Granucci, Giovanni
Published in arXiv.org (14.02.2019)
Published in arXiv.org (14.02.2019)
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Journal Article