Publicaciones en colaboración con investigadores/as de Uppsala University (52)

2023

  1. Characterizing Conical Intersections in DNA/RNA Nucleobases with Multiconfigurational Wave Functions of Varying Active Space Size

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 22, pp. 8258-8272

  2. Combination of inclusive top-quark pair production cross-section measurements using ATLAS and CMS data at s = 7 and 8 TeV

    Journal of High Energy Physics, Vol. 2023, Núm. 7

  3. Genetically encoded non-canonical amino acids reveal asynchronous dark reversion of chromophore, backbone, and side-chains in EL222

    Protein science : a publication of the Protein Society, Vol. 32, Núm. 4, pp. e4590

  4. The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 20, pp. 6933-6991

2022

  1. Superconducting density of states and band structure at the surface of the candidate topological superconductor Au2 Pb

    Physical Review Research, Vol. 4, Núm. 2

2021

  1. In situ rolling circle amplification förster resonance energy transfer (RCA-FRET) for washing-free real-time single-protein imaging

    Analytical Chemistry, Vol. 93, Núm. 3, pp. 1842-1850

  2. Mechanistic Insights into the Role of the Bis(trifluoromethanesulfonyl)imide Ion in Coevaporated p-i-n Perovskite Solar Cells

    ACS Applied Materials and Interfaces, Vol. 13, Núm. 44, pp. 52450-52460

2019

  1. Photoinduced effects on the magnetic properties of the (Fe 0.2 Cr 0.8 ) 1.5 [Cr(CN) 6 ] Prussian blue analogue

    Journal of Materials Chemistry C, Vol. 7, Núm. 8, pp. 2305-2317

  2. OpenMolcas: From Source Code to Insight

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

2018

  1. Chemi- and Bioluminescence of Cyclic Peroxides

    Chemical Reviews, Vol. 118, Núm. 15, pp. 6927-6974

  2. Combined Forward-Backward Asymmetry Measurements in Top-Antitop Quark Production at the Tevatron

    Physical Review Letters, Vol. 120, Núm. 4

  3. Magnetic ordering in an (Fe0.2Cr0.8)1.5[Cr(CN)6] Prussian blue analogue studied with synchrotron radiation based spectroscopies

    Journal of Materials Chemistry C, Vol. 6, Núm. 30, pp. 8171-8186

  4. Tevatron Run II combination of the effective leptonic electroweak mixing angle

    Physical Review D, Vol. 97, Núm. 11

2017

  1. Advances in computational photochemistry and chemiluminescence of biological and nanotechnological molecules

    Photochemistry, Vol. 44, pp. 16-60

  2. Mechanism of activated chemiluminescence of cyclic peroxides: 1,2-dioxetanes and 1,2-dioxetanones

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 5, pp. 3955-3962

  3. Triplet versus singlet chemiexcitation mechanism in dioxetanone: a CASSCF/CASPT2 study

    Theoretical Chemistry Accounts, Vol. 136, Núm. 6

2016

  1. Benzophenone Ultrafast Triplet Population: Revisiting the Kinetic Model by Surface-Hopping Dynamics

    Journal of Physical Chemistry Letters, Vol. 7, Núm. 4, pp. 622-626

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

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

2015

  1. A surface hopping algorithm for nonadiabatic minimum energy path calculations

    Journal of Computational Chemistry, Vol. 36, Núm. 5, pp. 312-320

  2. Investigations on the synthesis and chemiluminescence of novel 2-coumaranones - II

    Arkivoc, Vol. 2015, Núm. 5, pp. 44-59