Researcher Profile

Daniel Roca-Sanjuán

🏛 Institut de Ciència Molecular, Universitat de València, Valencia 46071, Spain

0000-0001-6495-2770

Publications

642

Citations

Co-Authors

Active Years

Publications

Open Access Journal Article Journal of Chemical Theory and Computation May 22, 2023

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

Giovanni Li Manni · Ignacio Fdez. Galván · Ali Alavi · Flavia Aleotti +104 more

10.1021/acs.jctc.3c00182 311 citations

Open Access Journal Article Proceedings of the National Academy of Sciences Nov 23, 2020

Photochemistry of oxidized Hg(I) and Hg(II) species suggests missing mercury oxidation in the troposphere

Alfonso Saiz-Lopez · Oleg Travnikov · Jeroen E. Sonke · Colin P. Thackray +12 more

10.1073/pnas.1922486117 85 citations

Journal Article Journal of the American Chemical Society May 22, 2019

Gas-Phase Photolysis of Hg(I) Radical Species: A New Atmospheric Mercury Reduction Process

Alfonso Saiz-Lopez · A. Ulises Acuña · Tarek Trabelsi · Javier Carmona-García +7 more

10.1021/jacs.9b02890 57 citations

Open Access Journal Article Nature Communications Nov 15, 2018

Photoreduction of gaseous oxidized mercury changes global atmospheric mercury speciation, transport and deposition

Alfonso Saiz-Lopez · Sebastian P. Sitkiewicz · Daniel Roca-Sanjuán · Josep M. Oliva-Enrich +14 more

10.1038/s41467-018-07075-3 135 citations

Journal Article The Journal of Physical Chemistry Letters Jan 28, 2015

Resolving the Benzophenone DNA-Photosensitization Mechanism at QM/MM Level

Élise Dumont · Meilani Wibowo · Daniel Roca-Sanjuán · Marco Garavelli +2 more

10.1021/jz502562d 54 citations

Publication Timeline

2023

2020

2019

2018

2015

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