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Llistar Títols per Matèria "Excited state chemistry"

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
		Bonding description of the Harpoon mechanism	Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
	15 febrer 2020	Bonding description of the Harpoon mechanism	Rodríguez Mayorga, Mauricio ; Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
	17 abril 2016	Bonding description of the Harpoon mechanism	Rodríguez Mayorga, Mauricio ; Ramos Cordoba, Eloy ; Salvador Sedano, Pedro ; Solà i Puig, Miquel ; Matito i Gras, Eduard
		Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps	Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
	2013	Conical intersection optimization based on a double Newton-Raphson algorithm using composed steps	Ruiz-Barragán, Sergi ; Robb, Michael A. ; Blancafort San José, Lluís
		Density functional study on UV/VIS spectra of copper-protein active sites: the effect of mutations	Swart, Marcel ; Johansson, Mikael P.
	1 setembre 2012	Density functional study on UV/VIS spectra of copper-protein active sites: the effect of mutations	Swart, Marcel ; Johansson, Mikael P.
	15 febrer 2020	The electron-pair density distribution of the 1,3Πu excited states of H2	Mercero, J. M. ; Rodríguez-Mayorga, M. ; Rodríguez Mayorga, Mauricio ; Matito i Gras, Eduard ; Lopez, Xabier ; Ugalde, Jesus M.
	10 juliol 2016	The electron-pair density distribution of the 1,3Πu excited states of H2	Mercero, Jose M. ; Rodríguez-Mayorga, M. ; Rodríguez Mayorga, Mauricio ; Matito i Gras, Eduard ; Lopez, Xabier ; Ugalde, Jesús M.
		Estimation of electronic coupling for singlet excitation energy transfer	Voityuk, Alexander A.
	2014	Estimation of electronic coupling for singlet excitation energy transfer	Voityuk, Alexander A.
		INDO/X: A new semiempirical method for excited states of organic and biological molecules	Voityuk, Alexander A.
	2014	INDO/X: A new semiempirical method for excited states of organic and biological molecules	Voityuk, Alexander A.
		Influence of base stacking geometry on the nature of excited states in G-quadruplexes: A time-dependent DFT study	Lech, Christopher J. ; Phan, Anh Tuân ; Michel-Beyerle, Maria Elisabeth ; Voityuk, Alexander A.
	2015	Influence of base stacking geometry on the nature of excited states in G-quadruplexes: A time-dependent DFT study	Lech, Christopher J. ; Phan, Anh Tuân ; Michel-Beyerle, Maria Elisabeth ; Voityuk, Alexander A.
		Interaction of Dark Excited States: Comparison of Computational Approaches	Voityuk, Alexander A.
	2015	Interaction of Dark Excited States: Comparison of Computational Approaches	Voityuk, Alexander A.
		On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. the three state model	Butchosa Robles, Cristina ; Simon i Rabasseda, Sílvia ; Blancafort San José, Lluís ; Voityuk, Alexander A.
	2014	On the performance of the Kohn-Sham orbital approach in the calculation of electron transfer parameters. the three state model	Butchosa Robles, Cristina ; Simon i Rabasseda, Sílvia ; Blancafort San José, Lluís ; Voityuk, Alexander A.
		Photochemistry and Photophysics at Extended Seams of Conical Intersection	Blancafort San José, Lluís
	2014	Photochemistry and Photophysics at Extended Seams of Conical Intersection	Blancafort San José, Lluís
		Polarizable QM/MM multiconfiguration self-consistent field approach with state-specific corrections: Environment effects on cytosine absorption spectrum	Li, Quansong ; Mennucci, Benedetta ; Robb, Michael A. ; Blancafort San José, Lluís ; Curutchet, Carles
	2015	Polarizable QM/MM multiconfiguration self-consistent field approach with state-specific corrections: Environment effects on cytosine absorption spectrum	Li, Quansong ; Mennucci, Benedetta ; Robb, Michael A. ; Blancafort San José, Lluís ; Curutchet, Carles
		The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective	Jenkins, Samantha ; Blancafort San José, Lluís ; Kirk, Steven R ; Bearpark, Michael J.
	2014	The response of the electronic structure to electronic excitation and double bond torsion in fulvene: A combined QTAIM, stress tensor and MO perspective	Jenkins, Samantha ; Blancafort San José, Lluís ; Kirk, Steven R ; Bearpark, Michael J.

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