Articles with public access mandates - Lars G M PetterssonLearn more
Not available anywhere: 22
X-ray and electron spectroscopy of water
T Fransson, Y Harada, N Kosugi, NA Besley, B Winter, JJ Rehr, ...
Chemical reviews 116 (13), 7551-7569, 2016
Mandates: Swedish Research Council
Fluctuations in ambient water
A Nilsson, C Huang, LGM Pettersson
Journal of Molecular Liquids 176, 2-16, 2012
Mandates: Swedish Research Council
An implementation of core level spectroscopies in a real space Projector Augmented Wave density functional theory code
MP Ljungberg, JJ Mortensen, LGM Pettersson
Journal of Electron Spectroscopy and Related Phenomena 184 (8), 427-439, 2011
Mandates: Swedish Research Council
The structure of water; from ambient to deeply supercooled
LGM Pettersson, A Nilsson
Journal of Non-Crystalline Solids 407, 399-417, 2015
Mandates: 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
Mandates: Swedish Research Council
Polarization dependent resonant x-ray emission spectroscopy of D2O and H2O water: Assignment of the local molecular orbital symmetry
T Tokushima, Y Horikawa, H Arai, Y Harada, O Takahashi, ...
The Journal of Chemical Physics 136 (4), 2012
Mandates: Swedish Research Council
Probing the OH stretch in different local environments in liquid water
Y Harada, J Miyawaki, H Niwa, K Yamazoe, LGM Pettersson, A Nilsson
The Journal of Physical Chemistry Letters 8 (22), 5487-5491, 2017
Mandates: Swedish Research Council, European Commission
Radial distribution functions of water: Models vs experiments
G Camisasca, H Pathak, KT Wikfeldt, LGM Pettersson
The Journal of chemical physics 151 (4), 2019
Mandates: Swedish Research Council
Translational and rotational dynamics of high and low density TIP4P/2005 water
G Camisasca, N Galamba, KT Wikfeldt, LGM Pettersson
The Journal of chemical physics 150 (22), 2019
Mandates: Icelandic Centre for Research, Fundação para a Ciência e a Tecnologia …
Temperature dependence of the intensity of the vibration-rotational absorption band ν2 of H2O trapped in an argon matrix
G Pitsevich, I Doroshenko, А Malevich, Е Shalamberidze, V Sapeshko, ...
Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 172, 83-90, 2017
Mandates: Swedish Research Council
Structural transformations in bulk and matrix-isolated methanol from measured and computed infrared spectroscopy
V Pogorelov, Y Chernolevska, Y Vaskivskyi, LGM Pettersson, ...
Journal of Molecular Liquids 216, 53-58, 2016
Mandates: Swedish Research Council
Accurate SCC-DFTB parametrization for bulk water
MP Lourenco, EC Dos Santos, LGM Pettersson, HA Duarte
Journal of Chemical Theory and Computation 16 (3), 1768-1778, 2020
Mandates: Swedish Research Council
Partial electrooxidation of glycerol on close-packed transition metal surfaces: insights from first-principles calculations
M Valter, EC Dos Santos, LGM Pettersson, A Hellman
The Journal of Physical Chemistry C 124 (33), 17907-17915, 2020
Mandates: Swedish Research Council for Environment, Agricultural Sciences and Spatial …
Calculation of the vibration–rotational transition intensities of water molecules trapped in an argon matrix: stretching O–H vibrations spectral region
G Pitsevich, E Shalamberidze, A Malevich, V Sablinskas, V Balevicius, ...
Molecular Physics 115 (20), 2605-2613, 2017
Mandates: Swedish Research Council
Electrochemical interface during corrosion of copper in anoxic sulfide-containing groundwater—A computational study
JH Stenlid, EC Dos Santos, A Bagger, AJ Johansson, J Rossmeisl, ...
The Journal of Physical Chemistry C 124 (1), 469-481, 2019
Mandates: Swedish Research Council, Innovation Fund Denmark, Carlsberg Foundation DK
Amorphous, periodic model of a copper electrocatalyst with subsurface oxygen for enhanced CO coverage and dimerization
C Liu, S Hedström, JH Stenlid, LGM Pettersson
The Journal of Physical Chemistry C 123 (8), 4961-4968, 2019
Mandates: Knut and Alice Wallenberg Foundation
Theoretical study of the X-ray natural circular dichroism of some crystalline amino acids
O Takahashi, M Kimoto, LGM Pettersson
Chemical Physics 450, 109-114, 2015
Mandates: Swedish Research Council
Mp4 study of the anharmonic coupling of the shared proton stretching vibration of the protonated water dimer in equilibrium and transition states
G Pitsevich, A Malevich, E Kozlovskaya, E Mahnach, I Doroshenko, ...
The Journal of Physical Chemistry A 121 (10), 2151-2165, 2017
Mandates: Swedish Research Council
A nuclear configuration interaction approach to study nuclear spin effects: an application to ortho‐ and para‐3He2@C60
F Moncada, W Quintero, E Posada, LGM Pettersson, A Reyes
ChemPhysChem 25 (4), e202300498, 2024
Mandates: Swedish Research Council, European Commission
Assigning XPS Peaks to Chemical Environments Using First-Principles Calculations
GLS Rodrigues, M Valter, P Amann, LGM Pettersson
Applications of X-ray Photoelectron Spectroscopy to Catalytic Studies: From …, 2023
Mandates: Knut and Alice Wallenberg Foundation, Swedish Research Council
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