| 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 | 83 | 2023 |
| Selective gating to vibrational modes through resonant X-ray scattering RC Couto, VV Cruz, E Ertan, S Eckert, M Fondell, M Dantz, B Kennedy, ... Nature Communications 8 (1), 14165, 2017 | 75 | 2017 |
| Probing hydrogen bond strength in liquid water by resonant inelastic X-ray scattering VV da Cruz, F Gel’mukhanov, S Eckert, M Iannuzzi, E Ertan, A Pietzsch, ... Nature communications 10 (1), 1-9, 2019 | 63 | 2019 |
| Efficient calculations of a large number of highly excited states for multiconfigurational wavefunctions MG Delcey, LK Sørensen, M Vacher, RC Couto, M Lundberg Journal of computational chemistry 40 (19), 1789-1799, 2019 | 61 | 2019 |
| X-ray absorption spectrum of the N2+ molecular ion R Lindblad, L Kjellsson, RC Couto, M Timm, C Bülow, V Zamudio-Bayer, ... Physical Review Letters 124 (20), 203001, 2020 | 48 | 2020 |
| A study of the water molecule using frequency control over nuclear dynamics in resonant X-ray scattering VV da Cruz, E Ertan, RC Couto, S Eckert, M Fondell, M Dantz, B Kennedy, ... Physical Chemistry Chemical Physics 19 (30), 19573-19589, 2017 | 46 | 2017 |
| The carbon and oxygen K-edge NEXAFS spectra of CO+ RC Couto, L Kjellsson, H Ågren, V Carravetta, SL Sorensen, M Kubin, ... Physical Chemistry Chemical Physics 22 (28), 16215-16223, 2020 | 34 | 2020 |
| Nuclear dynamics in resonant inelastic X-ray scattering and X-ray absorption of methanol V Vaz da Cruz, N Ignatova, RC Couto, DA Fedotov, DR Rehn, ... The Journal of Chemical Physics 150 (23), 234301, 2019 | 30 | 2019 |
| Ultrafast dissociation features in RIXS spectra of the water molecule E Ertan, V Savchenko, N Ignatova, VV da Cruz, RC Couto, S Eckert, ... Physical Chemistry Chemical Physics 20 (21), 14384-14397, 2018 | 30 | 2018 |
| Fingerprinting electronic structure of heme iron by ab initio modeling of metal L-edge X-ray absorption spectra M Guo, E Källman, RV Pinjari, RC Couto, L Kragh Sørensen, R Lindh, ... Journal of chemical theory and computation 15 (1), 477-489, 2018 | 29 | 2018 |
| Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering N Ignatova, VV Cruz, RC Couto, E Ertan, A Zimin, FF Guimarães, ... Scientific Reports 7 (1), 43891, 2017 | 22 | 2017 |
| Infrared-pump–x-ray-probe spectroscopy of vibrationally excited molecules N Ignatova, VV da Cruz, RC Couto, E Ertan, M Odelius, H Ågren, ... Physical Review A 95 (4), 042502, 2017 | 19 | 2017 |
| One-dimensional cuts through multidimensional potential-energy surfaces by tunable x rays S Eckert, VV da Cruz, F Gel'mukhanov, E Ertan, N Ignatova, S Polyutov, ... Physical Review A 97 (5), 053410, 2018 | 17 | 2018 |
| Coupled electron-nuclear dynamics in resonant x-ray Raman scattering of CO molecules RC Couto, M Guarise, A Nicolaou, N Jaouen, GS Chiuzbăian, J Lüning, ... Physical Review A 93 (3), 032510, 2016 | 16 | 2016 |
| Suppressing non-radiative decay of photochromic organic molecular systems in the strong coupling regime RC Couto, M Kowalewski Physical Chemistry Chemical Physics 24 (32), 19199-19208, 2022 | 14 | 2022 |
| Breaking inversion symmetry by protonation: experimental and theoretical NEXAFS study of the diazynium ion, N 2 H+ RC Couto, W Hua, R Lindblad, L Kjellsson, SL Sorensen, M Kubin, ... Physical Chemistry Chemical Physics 23 (32), 17166-17176, 2021 | 13 | 2021 |
| Anomalously strong two-electron one-photon X-ray decay transitions in CO caused by avoided crossing RC Couto, M Guarise, A Nicolaou, N Jaouen, GS Chiuzbăian, J Lüning, ... Scientific Reports 6 (1), 20947, 2016 | 11 | 2016 |
| X-ray absorption of molecular cations—a new challenge for electronic structure theory V Carravetta, RC Couto, H Ågren Journal of Physics: Condensed Matter 34 (36), 363002, 2022 | 10 | 2022 |
| Anomalous polarization dependence in vibrationally resolved resonant inelastic x-ray scattering of VV da Cruz, E Ertan, N Ignatova, RC Couto, S Polyutov, M Odelius, ... Physical Review A 98 (1), 012507, 2018 | 6 | 2018 |
| Exact semi-classical light–matter interaction operator applied to two-photon processes with strong relativistic effects MG Delcey, RC Couto, LK Sørensen, I Fdez. Galván, M Guo, R Lindh, ... The Journal of Chemical Physics 153 (2), 024114, 2020 | 5 | 2020 |
hans agrenDepartment of Physics and Astronomy, Uppsala University在 physics.uu.se 的电子邮件经过验证
