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S'han trobat 188 ítems

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	6 juliol 2010	Hydrogen motion in proton sponges	Horbatenko, Yevhen
	20 desembre 2001	Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions	Salvador Sedano, Pedro
		Implementation and application of basis set superposition error-correction schemes to the theoretical modeling of weak intermolecular interactions	Salvador Sedano, Pedro
		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.
	5 juliol 2010	The Influece of atoms-in-molecules methods on shared-electron distribution indices and domain averaged fermi holes	Bultinck, Patrick
		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.
	5 juliol 2010	Insights into the mechanism of the photoinduced Wolff rearrangement of diazonaphthquinone	Li, Quansong
	24 juliol 1998	Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants	Simon i Rabasseda, Sílvia
		Interaccions moleculars: correcció de l’error de superposició de base i propietat de les funcions flotants	Simon i Rabasseda, Sílvia
		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.
	2008	Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids	Besalú i Llorà, Emili ; Vera, Leonel
		Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids	Besalú i Llorà, Emili ; Vera, Leonel
		Internal Test Sets (ITS) Method: a new cross-validation technique to assess the predictive capability of QSAR models. Application to a benchmark set of steroids	Besalú i Llorà, Emili ; Vera, Leonel
		Intramolecular halogen-halogen bonds?	Johansson, Mikael P. ; Swart, Marcel
		Intramolecular halogen-halogen bonds?	Johansson, Mikael P. ; Swart, Marcel
	2013	Intramolecular halogen-halogen bonds?	Johansson, Mikael P. ; Swart, Marcel
	7 juliol 2010	Is water a source of energy? Water oxidation for hydrogen production	Poater, Albert
		Local spin analysis and chemical bonding	Ramos-Cordoba, Eloy ; Salvador Sedano, Pedro ; Reiher, Markus
	4 novembre 2013	Local spin analysis and chemical bonding	Ramos Cordoba, Eloy ; Salvador Sedano, Pedro ; Reiher, Markus
	5 juliol 2010	Local spin	Mayer, Istvan
	1997	El mètode APT (Auto Adjusting Perturbation Theory) de diagonalització de matrius	Carbó-Dorca, Ramon ; Besalú i Llorà, Emili
		El mètode APT (Auto Adjusting Perturbation Theory) de diagonalització de matrius	Carbó-Dorca, Ramon ; Besalú i Llorà, Emili

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