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S'han trobat 177 ítems

Llistant ítems des de 100 a 125:

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Format	Data	Títol	Autor
Format	Data	Títol	Autor
	2006	Linear response functions for a vibrational configuration interaction state	Christiansen, Ove ; Kongsted, Jacob ; Paterson, Martin J. ; Luis Luis, Josep Maria
		Linear response functions for a vibrational configuration interaction state	Christiansen, Ove ; Kongsted, Jacob ; Paterson, Martin J. ; Luis Luis, Josep Maria
		Mechanism of action of cyclic antimicrobial peptides	Díaz i Cirac, Anna
	1 juliol 2011	Mechanism of action of cyclic antimicrobial peptides	Díaz i Cirac, Anna
		Molecular dynamics explorations of active site structure in designed and evolved enzymes	Osuna Oliveras, Sílvia ; Jiménez-Osés, Gonzalo ; Noey, Elizabeth L. ; Houk, Kendall N.
	2015	Molecular dynamics explorations of active site structure in designed and evolved enzymes	Osuna Oliveras, Sílvia ; Jiménez-Osés, Gonzalo ; Noey, Elizabeth L. ; Houk, Kendall N.
		Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor	Estévez Gay, Miquel
	setembre 2016	Molecular Dynamics Simulations of experimentally-evolved halohydrin dehalogenase enzymes for the synthesis of Lipitor	Estévez Gay, Miquel
	1998	Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6	Luis Luis, Josep Maria ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
		Nuclear relaxation contribution to static and dynamic (infinite frequency approximation) nonlinear optical properties by means of electrical property expansions: Application to HF, CH4, CF4, and SF6	Luis Luis, Josep Maria ; Martí, Josep ; Duran i Portas, Miquel ; Andrés, José Luís ; Kirtman, Bernard
		On the physical origins of interaction-induced vibrational (hyper)polarizabilities	Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
		On the physical origins of interaction-induced vibrational (hyper)polarizabilities	Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
	1 juny 2018	On the physical origins of interaction-induced vibrational (hyper)polarizabilities
	5 juny 2018	On the physical origins of interaction-induced vibrational (hyper)polarizabilities	Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
	15 febrer 2020	On the physical origins of interaction-induced vibrational (hyper)polarizabilities	Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
	19 juliol 2016	On the physical origins of interaction-induced vibrational (hyper)polarizabilities	Zaleśny, Robert ; Garcia Borràs, Marc ; Góra, Robert W. ; Medved, Miroslav ; Luis Luis, Josep Maria
	setembre 2016	Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process	Escayola Gordils, Sílvia
		Optimization of Conical Intersections in Biological Systems with the ONIOM Scheme: Projected Gradient Implementation in the Microiteration Process	Escayola Gordils, Sílvia
	2012	Performance of PNOF5 Natural Orbital Functional for Radical Formation Reactions: Hydrogen Atom Abstraction and C–C and O–O Homolytic Bond Cleavage in Selected Molecule	Lopez, Xabier ; Ruipérez, Fernando ; Piris, Mario ; Matxain, Jon M. ; Matito i Gras, Eduard ; Ugalde, Jesús M.
		Photoinduced charge separation in the carbon nano-onion C60@C240	Voityuk, Alexander A. ; Solà i Puig, Miquel
		Photoinduced charge separation in the carbon nano-onion C60@C240	Voityuk, Alexander A. ; Solà i Puig, Miquel
	1 juny 2018	Photoinduced charge separation in the carbon nano-onion C60@C240
	5 juny 2018	Photoinduced charge separation in the carbon nano-onion C60@C240	Voityuk, Alexander A. ; Solà i Puig, Miquel
	6 juliol 2016	Photoinduced charge separation in the carbon nano-onion C60@C240	Voityuk, Alexander A. ; Solà i Puig, Miquel
		Photophysics of fulvene under the non-resonant stark effect: shaping the conical intersection seam	Ruiz-Barragán, Sergi ; Blancafort San José, Lluís

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