| OpenMolcas: From source code to insight I Fdez. Galván, M Vacher, A Alavi, C Angeli, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 15 (11), 5925-5964, 2019 | 880 | 2019 |
| The OpenMolcas Web: A Community-Driven Approach to Advancing Computational Chemistry G Li Manni, I Fdez. Galván, A Alavi, F Aleotti, F Aquilante, J Autschbach, ... Journal of chemical theory and computation 19 (20), 6933-6991, 2023 | 157 | 2023 |
| Restricted active space calculations of L-edge X-ray absorption spectra: From molecular orbitals to multiplet states RV Pinjari, MG Delcey, M Guo, M Odelius, M Lundberg The Journal of chemical physics 141 (12), 2014 | 143 | 2014 |
| Accelerating proton-coupled electron transfer of metal hydrides in catalyst model reactions T Liu, M Guo, A Orthaber, R Lomoth, M Lundberg, S Ott, L Hammarström Nature Chemistry 10 (8), 881-887, 2018 | 105 | 2018 |
| Simulations of iron K pre-edge X-ray absorption spectra using the restricted active space method M Guo, LK Sørensen, MG Delcey, RV Pinjari, M Lundberg Physical Chemistry Chemical Physics 18 (4), 3250-3259, 2016 | 101 | 2016 |
| 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 M Kubin, M Guo, T Kroll, H Löchel, E Källman, ML Baker, R Mitzner, S Gul, ... Chemical science 9 (33), 6813-6829, 2018 | 91 | 2018 |
| Electron-deficient pyrimidine adopted in porphyrin sensitizers: a theoretical interpretation of π-spacers leading to highly efficient photo-to-electric conversion performances … M Guo, R He, Y Dai, W Shen, M Li, C Zhu, SH Lin The Journal of Physical Chemistry C 116 (16), 9166-9179, 2012 | 83 | 2012 |
| Cost and sensitivity of restricted active‐space calculations of metal L‐edge X‐ray absorption spectra RV Pinjari, MG Delcey, M Guo, M Odelius, M Lundberg Journal of computational chemistry 37 (5), 477-486, 2016 | 76 | 2016 |
| Hot branching dynamics in a light‐harvesting iron carbene complex revealed by ultrafast X‐ray emission spectroscopy H Tatsuno, KS Kjær, K Kunnus, TCB Harlang, C Timm, M Guo, P Chàbera, ... Angewandte Chemie International Edition 59 (1), 364-372, 2020 | 60 | 2020 |
| Applications to metal K pre-edges of transition metal dimers illustrate the approximate origin independence for the intensities in the length representation LK Sørensen, M Guo, R Lindh, M Lundberg Molecular Physics 115 (1-2), 174-189, 2017 | 41 | 2017 |
| Direct determination of absolute absorption cross sections at the L-edge of dilute Mn complexes in solution using a transmission flatjet M Kubin, M Guo, M Ekimova, ML Baker, T Kroll, E Kallman, J Kern, ... Inorganic chemistry 57 (9), 5449-5462, 2018 | 39 | 2018 |
| Molecular Orbital Simulations of Metal 1s2p Resonant Inelastic X-ray Scattering M Guo, E Källman, LK Sørensen, MG Delcey, RV Pinjari, M Lundberg J. Phys. Chem. A 120 (29), 5848–5855, 2016 | 39 | 2016 |
| X-ray-induced sample damage at the Mn L-edge: a case study for soft X-ray spectroscopy of transition metal complexes in solution M Kubin, J Kern, M Guo, E Källman, R Mitzner, VK Yachandra, ... Physical Chemistry Chemical Physics 20 (24), 16817-16827, 2018 | 38 | 2018 |
| Fingerprints of electronic, spin and structural dynamics from resonant inelastic soft X-ray scattering in transient photo-chemical species J Norell, RM Jay, M Hantschmann, S Eckert, M Guo, KJ Gaffney, P Wernet, ... Physical Chemistry Chemical Physics 20 (10), 7243-7253, 2018 | 37 | 2018 |
| Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects M Guo, R He, Y Dai, W Shen, M Li, C Zhu, SH Lin The Journal of chemical physics 136 (14), 2012 | 37 | 2012 |
| Fingerprinting electronic structure of heme iron by ab initio modeling of metal L-edge X-ray absorption spectra M Guo, E Kallman, RV Pinjari, RC Couto, L Kragh Sørensen, R Lindh, ... Journal of Chemical Theory and Computation 15 (1), 477-489, 2018 | 32 | 2018 |
| Cr L-Edge X-ray Absorption Spectroscopy of CrIII(acac)3 in Solution with Measured and Calculated Absolute Absorption Cross Sections M Kubin, M Guo, M Ekimova, E Källman, J Kern, VK Yachandra, J Yano, ... The Journal of Physical Chemistry B 122 (29), 7375-7384, 2018 | 31 | 2018 |
| Exploring the role of varied-length spacers in charge transfer: a theoretical investigation on pyrimidine-bridged porphyrin dyes M Guo, M Li, Y Dai, W Shen, J Peng, C Zhu, SH Lin, R He RSC Advances 3 (38), 17515-17526, 2013 | 28 | 2013 |
| Graphitic carbon nitride/CdSe quantum dot/iron carbonyl cluster composite for enhanced photocatalytic hydrogen evolution C Li, X Zou, W Lin, H Mourad, J Meng, Y Liu, M Abdellah, M Guo, K Zheng, ... ACS Applied Nano Materials 4 (6), 6280-6289, 2021 | 26 | 2021 |
| Synthesis of a miniaturized [FeFe] hydrogenase model system C Esmieu, M Guo, HJ Redman, M Lundberg, G Berggren Dalton Transactions 48 (7), 2280-2284, 2019 | 19 | 2019 |
Marcus LundbergDepartment of Chemistry - Ångström Laboratory, Uppsala UniversityEmail confirmado em kemi.uu.se