Ground and excited electronic state thermodynamics of aqueous carbon monoxide: a theoretical study.
By using the quasi Gaussian entropy theory in combination with molecular dynamics simulations and the perturbed matrix method, we investigate the ground and excited state thermodynamics of aqueous carbon monoxide. Results show that the model used is rather accurate and provides a great detail in the description of the excitation thermodynamics.
D'Alessandro
Maira
M
Dipartimento di Scienze e Tecnologie Chimiche, Università di Roma Tor Vergata, via della Ricerca Scientifica 1, 00133 Roma, Italy.
Marinelli
Fabrizio
F
D'Abramo
Marco
M
Aschi
Massimiliano
M
Di Nola
Alfredo
A
Amadei
Andrea
A