Meiyuan Guo

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra

Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan; Odelius, Michael et al.

Ingår i Journal of Computational Chemistry, s. 477-486, 2016

• DOI för Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra
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Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

Guo, Meiyuan; Sörensen, Lasse Kragh; Delcey, Mickaël G.; Pinjari, Rahul V. et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 3250-3259, 2016

• DOI för Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method
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Electronic structures of transition metal complexes-core level spectroscopic investigation

Guo, Meiyuan

2016

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Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan; Odelius, Michael et al.

Ingår i Journal of Chemical Physics, 2014

• DOI för Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states
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Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy

Ablyasova, Olesya S.; Guo, Meiyuan; Zamudio-Bayer, Vicente; Kubin, Markus et al.

Ingår i Journal of Physical Chemistry A, s. 7121-7131, 2023

• DOI för Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy
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Interpreting the Cu-O₂ Antibonding Nature in Two Cu-O₂ Complexes from Cu L-Edge X-ray Absorption Spectra

Wang, Sheng-Yu; Zhang, Jun-Rong; Guo, Meiyuan; Hua, Weijie

Ingår i Inorganic Chemistry, s. 17115-17125, 2023

• DOI för Interpreting the Cu-O₂ Antibonding Nature in Two Cu-O₂ Complexes from Cu L-Edge X-ray Absorption Spectra

Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy

Källman, Erik; Delcey, Mickael G; Guo, Meiyuan; Lindh, Roland et al.

Ingår i Chemical Physics, 2020

• DOI för Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy
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Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects

Delcey, Mickael G; Couto, Rafael Carvalho; Sorensen, Lasse Kragh; Fernández Galván, Ignacio et al.

Ingår i Journal of Chemical Physics, 2020

• DOI för Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects
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Simulations of valence excited states in coordination complexes reached through hard X-ray scattering

Källman, Erik; Guo, Meiyuan; Delcey, Mickael G; Meyer, Drew A. et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 8325-8335, 2020

• DOI för Simulations of valence excited states in coordination complexes reached through hard X-ray scattering
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Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy

Ablyasova, Olesya S.; Guo, Meiyuan; Zamudio-Bayer, Vicente; Kubin, Markus et al.

Ingår i Journal of Physical Chemistry A, s. 7121-7131, 2023

• DOI för Electronic Structure of the Complete Series of Gas-Phase Manganese Acetylacetonates by X-ray Absorption Spectroscopy
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Interpreting the Cu-O₂ Antibonding Nature in Two Cu-O₂ Complexes from Cu L-Edge X-ray Absorption Spectra

Wang, Sheng-Yu; Zhang, Jun-Rong; Guo, Meiyuan; Hua, Weijie

Ingår i Inorganic Chemistry, s. 17115-17125, 2023

• DOI för Interpreting the Cu-O₂ Antibonding Nature in Two Cu-O₂ Complexes from Cu L-Edge X-ray Absorption Spectra

Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy

Källman, Erik; Delcey, Mickael G; Guo, Meiyuan; Lindh, Roland et al.

Ingår i Chemical Physics, 2020

• DOI för Quantifying similarity for spectra with a large number of overlapping transitions: Examples from soft X-ray spectroscopy
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Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects

Delcey, Mickael G; Couto, Rafael Carvalho; Sorensen, Lasse Kragh; Fernández Galván, Ignacio et al.

Ingår i Journal of Chemical Physics, 2020

• DOI för Exact semi-classical light-matter interaction operator applied to two-photon processes with strong relativistic effects
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Simulations of valence excited states in coordination complexes reached through hard X-ray scattering

Källman, Erik; Guo, Meiyuan; Delcey, Mickael G; Meyer, Drew A. et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 8325-8335, 2020

• DOI för Simulations of valence excited states in coordination complexes reached through hard X-ray scattering
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OpenMolcas: From Source Code to Insight

Fernández Galván, Ignacio; Vacher, Morgane; Alavi, Ali; Angeli, Celestino et al.

Ingår i Journal of Chemical Theory and Computation, s. 5925-5964, 2019

• DOI för OpenMolcas: From Source Code to Insight

Inception of electronic damage of matter by photon-driven post-ionization mechanisms

Blachucki, W.; Kayser, Y.; Czapla-Masztafiak, J.; Guo, Meiyuan et al.

Ingår i Structural Dynamics, 2019

• DOI för Inception of electronic damage of matter by photon-driven post-ionization mechanisms
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Synthesis of a miniaturized [FeFe] hydrogenase model system

Esmieu, Charlene; Guo, Meiyuan; Redman, Holly J.; Lundberg, Marcus et al.

Ingår i Dalton Transactions, s. 2280-2284, 2019

• DOI för Synthesis of a miniaturized [FeFe] hydrogenase model system
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Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra

Guo, Meiyuan; Källman, Erik; Pinjari, Rahul V.; Couto, Rafael Carvalho et al.

Ingår i Journal of Chemical Theory and Computation, s. 477-489, 2019

• DOI för Fingerprinting Electronic Structure of Heme Iron by Ab Initio Modeling of Metal L-Edge X-ray Absorption Spectra
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Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet

Kubin, Markus; Guo, Meiyuan; Ekimova, Maria; Baker, Michael L. et al.

Ingår i Inorganic Chemistry, s. 5449-5462, 2018

• DOI för Direct Determination of Absolute Absorption Cross Sections at the L-Edge of Dilute Mn Complexes in Solution Using a Transmission Flatjet
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X-ray-induced sample damage at the Mn L-edge: a case study for soft X-ray spectroscopy of transition metal complexes in solution

Kubin, Markus; Kern, Jan; Guo, Meiyuan; Källman, Erik et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 16817-16827, 2018

• DOI för X-ray-induced sample damage at the Mn L-edge: a case study for soft X-ray spectroscopy of transition metal complexes in solution
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Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections

Kubin, Markus; Guo, Meiyuan; Ekimova, Maria; Källman, Erik et al.

Ingår i Journal of Physical Chemistry B, s. 7375-7384, 2018

• DOI för Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections
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Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft x-ray scattering in transient photo-chemical species

Norell, Jesper; Jay, Raphael; Hantschmann, Markus; Eckert, Sebastian et al.

Ingår i Abstracts of Papers of the American Chemical Society, 2018

Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions

Liu, Tianfei; Guo, Meiyuan; Orthaber, Andreas; Lomoth, Reiner et al.

Ingår i Nature Chemistry, s. 881-887, 2018

• DOI för Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions
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Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies

Kubin, Markus; Guo, Meiyuan; Kroll, Thomas; Lächel, Heike et al.

Ingår i Chem. Sci., s. 6813-6829, 2018

• DOI för Probing the oxidation state of transition metal complexes: a case study on how charge and spin densities determine Mn L-edge X-ray absorption energies
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Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species

Norell, Jesper; Jay, Raphael M.; Hantschmann, Markus; Eckert, Sebastian et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 7243-7253, 2018

• DOI för Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species
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Applications to metal K pre-edges of transitionmetal dimers illustrate the approximate origin independence for the intensities in the length representation

Sørensen, Lasse Kragh; Guo, Meiyuan; Lindh, Roland; Lundberg, Marcus

Ingår i Molecular Physics, s. 174-189, 2017

• DOI för Applications to metal K pre-edges of transitionmetal dimers illustrate the approximate origin independence for the intensities in the length representation
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Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra

Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan; Odelius, Michael et al.

Ingår i Journal of Computational Chemistry, s. 477-486, 2016

• DOI för Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra
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Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering

Guo, Meiyuan; Erik, Källman; Sørensen, Lasse Kragh; Delcey, Mickaël G. et al.

Ingår i Journal of Physical Chemistry A, s. 5848-5855, 2016

• DOI för Molecular orbital simulations of metal 1s2p resonant inelastic X-ray scattering
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Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

Guo, Meiyuan; Sörensen, Lasse Kragh; Delcey, Mickaël G.; Pinjari, Rahul V. et al.

Ingår i Physical Chemistry, Chemical Physics - PCCP, s. 3250-3259, 2016

• DOI för Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method
• Ladda ner fulltext (pdf) av Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method

Cost and sensitivity of restricted active-space calculations of metal L-edge X-ray absorption spectra

Pinjari, Rahul V.; Delcey, Mickaël G; Guo, Meiyuan; Odelius, Michael et al.

Ingår i Journal of Computational Chemistry, 2015

Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

Pinjari, Rahul V.; Delcey, Mickaël G.; Guo, Meiyuan; Odelius, Michael et al.

Ingår i Journal of Chemical Physics, 2014

• DOI för Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states
• Ladda ner fulltext 1 (pdf) av Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states
• Ladda ner fulltext 2 (pdf) av Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states

Electronic structure investigations of transition metal complexes through X-ray spectroscopy

Guo, Meiyuan

2017

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Electronic structures of transition metal complexes-core level spectroscopic investigation

Guo, Meiyuan

2016

• Ladda ner fulltext (pdf) av Electronic structures of transition metal complexes-core level spectroscopic investigation

L2,3-edge 3d-Partial-fluorescence yield x-ray absorption as a sensitive probe of a distorted symmetry

Guo, Meiyuan; Lundberg, Marcus; S. Miedema, Piter

Fingerprinting electronic structures of heme using theoretical modeling of L-edge X-ray absorption spectra

Guo, Meiyuan; Erik, Kallman; Pinjari, Rahul V.; Lundberg, Marcus

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

Kubin, Makus; Guo, Meiyuan; Kroll, Thomas; Löchel, Heike et al.

• DOI för 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