Publicacions en col·laboració amb investigadors/es de Uppsala University (6)

2019

  1. OpenMolcas: From Source Code to Insight

    Journal of Chemical Theory and Computation, Vol. 15, Núm. 11, pp. 5925-5964

2017

  1. How Do Methyl Groups Enhance the Triplet Chemiexcitation Yield of Dioxetane?

    Journal of Physical Chemistry Letters, Vol. 8, Núm. 16, pp. 3790-3794

  2. 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

  1. Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table

    Journal of Computational Chemistry, Vol. 37, Núm. 5, pp. 506-541

2012

  1. Photostability mechanisms in human γb-crystallin: Role of the tyrosine corner unveiled by quantum mechanics and hybrid quantum mechanics/molecular mechanics methodologies

    Journal of Chemical Theory and Computation, Vol. 8, Núm. 4, pp. 1351-1359

2011

  1. The ultrafast photoisomerizations of rhodopsin and bathorhodopsin are modulated by bond length alternation and HOOP driven electronic effects

    Journal of the American Chemical Society, Vol. 133, Núm. 10, pp. 3354-3364