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.
Ground and excited electronic state thermodynamics of aqueous carbon monixide: a theoretical study / D'Alessandro, Maira; Marinelli, Fabrizio; D'Abramo, Marco; Aschi, Massimiliano; DI NOLA, Alfredo; Amadei, Andrea. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - STAMPA. - 122:12(2005), pp. 124507-1-124507-6. [10.1063/1.1870832]
Ground and excited electronic state thermodynamics of aqueous carbon monixide: a theoretical study
D'ALESSANDRO, Maira;D'ABRAMO, Marco;ASCHI, Massimiliano;DI NOLA, Alfredo;AMADEI, andrea
2005
Abstract
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.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
