Luis Manuel
Frutos Gaite
Catedrático/a de Universidad
Alessio
Valentini
Alessio Valentini-rekin lankidetzan egindako argitalpenak (10)
2019
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OpenMolcas: From Source Code to Insight
Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964
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Photosensitized Retinal Isomerization in Rhodopsin Mediated by a Triplet State
ChemPhotoChem, Vol. 3, Núm. 9, pp. 925-932
2017
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How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?
Journal of Physical Chemistry Letters, Vol. 8, Núm. 16, pp. 3790-3794
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Optomechanical Control of Quantum Yield in Trans–Cis Ultrafast Photoisomerization of a Retinal Chromophore Model
Angewandte Chemie International, Vol. 56, Núm. 14, pp. 3842-3846
2016
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Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table
Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541
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Probing the Photodynamics of Rhodopsins with Reduced Retinal Chromophores
Journal of Chemical Theory and Computation, Vol. 12, Núm. 2, pp. 839-850
2015
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Directionality of double-bond photoisomerization dynamics induced by a single stereogenic center
Journal of Physical Chemistry Letters, Vol. 6, Núm. 4, pp. 599-604
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Mechanical Forces Alter Conical Intersections Topology
Journal of Chemical Theory and Computation, Vol. 11, Núm. 8, pp. 3740-3745
2014
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Shape of multireference, equation-of-motion coupled-cluster, and density functional theory potential energy surfaces at a conical intersection
Journal of Chemical Theory and Computation, Vol. 10, Núm. 8, pp. 3074-3084
2013
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Chiral hydrogen bond environment providing unidirectional rotation in photoactive molecular motors
Journal of Physical Chemistry Letters, Vol. 4, Núm. 9, pp. 1389-1396