22 citations · 25 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2019★ 22 cited
Excited state dynamics of some nonsteroidal anti-inflammatory drugs: a surface-hopping investigation
Neus Aguilera-Porta, Ines Corral, Jordi Munoz-Muriedas +1
Here we present a computational investigation of the excited state dynamics of 5 different active medical substances (aspirin, ibuprofen, carprofen, suprofen, indomethacin) which b…
physics.chem-ph2019★ 3 cited
Unveiling the photophysics of thiourea from CASPT2/CASSCF potential energy surfaces and singlet/triplet excited state molecular dynamics simulations
Neus Aguilera Porta, Giovanni Granucci, Jordi Munoz-Muriedas +1
This work describes the decay mechanism of photoexcited thiourea, both in gas phase and in solution, from the information inferred from the topography of the excited and ground sta…