Meiyuan Guo
Researcher at Institutionen för kemi - Ångström; Molekylär biomimetik; Biofysikalisk och bio-oorganisk kemi
- Mobile phone:
- +46 73 953 09 71
- E-mail:
- meiyuan.guo@kemi.uu.se
- Visiting address:
- Ångströmlaboratoriet, Lägerhyddsvägen 1
75120 Uppsala - Postal address:
- Box 523
75120 Uppsala
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Short presentation
My research interest is understand the correlation between structure and function of transition metal catalysts using X-ray spectroscopy technique from both theoretical and experimental perspectives.
Biography
2013-2017 Phd study at Uppsala University
2018-2020 Postdoc at Lund University
2020-2022 Postdoc at SLAC
Publications
Selection of publications
- Electronic structures of transition metal complexes-core level spectroscopic investigation (2016)
- Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method (2016)
- Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra (2016)
- Restricted active space calculations of L-edge X-ray absorption spectra (2014)
Recent publications
- Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy (2023)
- Interpreting the Cu-O2 Antibonding Nature in Two Cu-O2 Complexes from Cu L-Edge X-ray Absorption Spectra (2023)
- Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects (2020)
- Quantifying similarity for spectra with a large number of overlapping transitions (2020)
- Simulations of valence excited states in coordination complexes reached through hard X-ray scattering (2020)
All publications
Articles
- Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy (2023)
- Interpreting the Cu-O2 Antibonding Nature in Two Cu-O2 Complexes from Cu L-Edge X-ray Absorption Spectra (2023)
- Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects (2020)
- Quantifying similarity for spectra with a large number of overlapping transitions (2020)
- Simulations of valence excited states in coordination complexes reached through hard X-ray scattering (2020)
- Inception of electronic damage of matter by photon-driven post-ionization mechanisms (2019)
- Synthesis of a miniaturized [FeFe] hydrogenase model system (2019)
- OpenMolcas (2019)
- Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra (2019)
- Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet (2018)
- Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections (2018)
- Probing the oxidation state of transition metal complexes (2018)
- X-ray-induced sample damage at the Mn L-edge (2018)
- Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions (2018)
- Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft x-ray scattering in transient photo-chemical species (2018)
- Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species (2018)
- Applications to metal K pre-edges of transitionmetal dimers illustrate the approximate origin independence for the intensities in the length representation (2017)
- Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering (2016)
- Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method (2016)
- Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra (2016)
- Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra (2015)
- Restricted active space calculations of L-edge X-ray absorption spectra (2014)
- Fingerprinting electronic structures of heme using theoretical modeling of L-edge X-ray absorption spectra
- L2,3-edge 3d-Partial-fluorescence yield x-ray absorption as a sensitive probe of a distorted symmetry
- Probing the oxidation state: A case study of Mn II (acac) 2 and Mn III (acac) 3 on how charge and spin densities determine Mn L-edge X-ray absorption energies
Books
