Articoli con mandati relativi all'accesso pubblico - Michael OdeliusUlteriori informazioni
Non disponibili pubblicamente: 13
Aqueous solvation of ammonia and ammonium: Probing hydrogen bond motifs with FT-IR and soft X-ray spectroscopy
M Ekimova, W Quevedo, Ł Szyc, M Iannuzzi, P Wernet, M Odelius, ...
Journal of the American Chemical Society 139 (36), 12773-12783, 2017
Mandati: German Research Foundation, Helmholtz Association, Swedish Research Council
Cooperativity in surface bonding and hydrogen bonding of water and hydroxyl at metal surfaces
T Schiros, H Ogasawara, LÅ Näslund, KJ Andersson, J Ren, S Meng, ...
The Journal of Physical Chemistry C 114 (22), 10240-10248, 2010
Mandati: Swedish Research Council
Probing hydrogen bonding orbitals: resonant inelastic soft X-ray scattering of aqueous NH 3
L Weinhardt, E Ertan, M Iannuzzi, M Weigand, O Fuchs, M Bär, M Blum, ...
Physical Chemistry Chemical Physics 17 (40), 27145-27153, 2015
Mandati: US Department of Energy, Swedish Research Council
Ultrafast proton dynamics in aqueous amino acid solutions studied by resonant inelastic soft X-ray scattering
M Blum, M Odelius, L Weinhardt, S Pookpanratana, M Bär, Y Zhang, ...
The Journal of Physical Chemistry B 116 (46), 13757-13764, 2012
Mandati: Swedish Research Council
Soft x-ray spectroscopy of the amine group: Hydrogen bond motifs in alkylamine/alkylammonium acid–base pairs
M Ekimova, M Kubin, M Ochmann, J Ludwig, N Huse, P Wernet, ...
The Journal of Physical Chemistry B 122 (31), 7737-7746, 2018
Mandati: German Research Foundation, Helmholtz Association, Swedish Research Council …
Solvent‐Dependent Structure of the I3− Ion Derived from Photoelectron Spectroscopy and Ab Initio Molecular Dynamics Simulations
NK Jena, I Josefsson, SK Eriksson, A Hagfeldt, H Siegbahn, ...
Chemistry–A European Journal 21 (10), 4049-4055, 2015
Mandati: Swedish Research Council
Systematic theoretical investigation of the zero-field splitting in Gd (III) complexes: Wave function and density functional approaches
S Khan, A Kubica-Misztal, D Kruk, J Kowalewski, M Odelius
The Journal of chemical physics 142 (3), 2015
Mandati: Swedish Research Council
Ab initio simulations of complementary K-edges and solvatization effects for detection of proton transfer in aqueous 2-thiopyridone
J Norell, S Eckert, BE Van Kuiken, A Föhlisch, M Odelius
The Journal of Chemical Physics 151 (11), 2019
Mandati: Helmholtz Association, Swedish Research Council, European Commission
Structural and electronic properties of nitrogenated holey nanotubes: A density functional theory study
R Majidi, M Odelius, S AlTaha
Diamond and Related Materials 82, 96-101, 2018
Mandati: Swedish Research Council
Zero-field splitting in the isoelectronic aqueous Gd (III) and Eu (II) complexes from a first principles analysis
S Khan, V Peters, J Kowalewski, M Odelius
Chemical Physics 503, 56-64, 2018
Mandati: Swedish Research Council
Setting the stage for theoretical x-ray spectra of the H2S molecule with multi-configurational quantum chemical calculations of the energy landscape
E Ertan, M Lundberg, LK Sørensen, M Odelius
The Journal of Chemical Physics 152 (9), 2020
Mandati: Knut and Alice Wallenberg Foundation, Swedish Research Council
Encapsulation of small fullerenes into nitrogenated holey nanotubes: a density functional theory study
R Majidi, M Odelius, F Babaee
Molecular Physics 117 (6), 776-783, 2019
Mandati: Swedish Research Council
Pyrolytic fragmentation-induced defect formation in formamidinium lead halide perovskite thin films and photovoltaic performance limits
B Park, G Kim, C Kamal, BJS Mun, UB Cappel, H Rensmo, KJ Kim, ...
Energy & Environmental Science, 2024
Mandati: Swedish Research Council
Disponibili pubblicamente: 111
Electronic Structure of TiO2/CH3NH3PbI3 Perovskite Solar Cell Interfaces
R Lindblad, D Bi, B Park, J Oscarsson, M Gorgoi, H Siegbahn, M Odelius, ...
The journal of physical chemistry letters 5 (4), 648-653, 2014
Mandati: Swedish Research Council
Modern quantum chemistry with [Open] Molcas
F Aquilante, J Autschbach, A Baiardi, S Battaglia, VA Borin, LF Chibotaru, ...
The Journal of chemical physics 152 (21), 2020
Mandati: US National Science Foundation, US Department of Energy, Swiss National …
Orbital-specific mapping of the ligand exchange dynamics of Fe(CO)5 in solution
P Wernet, K Kunnus, I Josefsson, I Rajkovic, W Quevedo, M Beye, ...
Nature 520 (7545), 78-81, 2015
Mandati: US Department of Energy, Volkswagen Foundation
Large angular jump mechanism observed for hydrogen bond exchange in aqueous perchlorate solution
M Ji, M Odelius, KJ Gaffney
Science 328 (5981), 1003-1005, 2010
Mandati: Swedish Research Council
Ab initio calculations of x-ray spectra: Atomic multiplet and molecular orbital effects in a multiconfigurational scf approach to the l-edge spectra of transition metal complexes
I Josefsson, K Kunnus, S Schreck, A Föhlisch, F de Groot, P Wernet, ...
The journal of physical chemistry letters 3 (23), 3565-3570, 2012
Mandati: Swedish Research Council
Electronic Structure of CH3NH3PbX3 Perovskites: Dependence on the Halide Moiety
R Lindblad, NK Jena, B Philippe, J Oscarsson, D Bi, A Lindblad, S Mandal, ...
The Journal of Physical Chemistry C 119 (4), 1818-1825, 2015
Mandati: Swedish Research Council
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
Mandati: Swedish Research Council for Environment, Agricultural Sciences and Spatial …
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