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2024
1 Brakestad, Anders; Jensen, Stig Rune; Tantardini, Christian; Pitteloud, Quentin Gregoire; Wind, Peter Ariaan; Užulis, Jānis; Gulans, Andris; Hopmann, Kathrin Helen; Frediani, Luca.
Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark. Journal of Chemical Theory and Computation 2024 ;Volum 20. s. 728-737
UiT Untitled
 
2022
2 Fdez. Galván, Ignacio; Brakestad, Anders; Vacher, Morgane.
Role of conical intersection seam topography in the chemiexcitation of 1,2-dioxetanes. Physical Chemistry, Chemical Physics - PCCP 2022 ;Volum 24.(3) s. 1638-1653
UiT Untitled
 
3 Wind, Peter; Bjørgve, Magnar; Brakestad, Anders; Gerez, Gabriel; Jensen, Stig Rune; Remigio, Roberto Di; Frediani, Luca.
MRChem Multiresolution Analysis Code for Molecular Electronic Structure Calculations: Performance and Scaling Properties. Journal of Chemical Theory and Computation 2022 ;Volum 19. s. 137-146
UiT Untitled
 
2021
4 Brakestad, Anders; Wind, Peter; Jensen, Stig Rune; Frediani, Luca; Hopmann, Kathrin Helen.
Multiwavelets applied to metal–ligand interactions: Energies free from basis set errors. Journal of Chemical Physics 2021 ;Volum 154.(21) s. -
UiT MET Untitled
 
2020
5 Brakestad, Anders; Jensen, Stig Rune; Wind, Peter; D'Alessandro, Marco; Genovese, Luigi; Hopmann, Kathrin Helen; Frediani, Luca.
Static polarizabilities at the basis set limit: A benchmark of 124 species. Journal of Chemical Theory and Computation 2020 ;Volum 16. s. 4874-4882
UiT Untitled
 
2017
6 Vacher, Morgane; Brakestad, Anders; Karlsson, Hans O.; Fdez. Galván, Ignacio; Lindh, Roland.
Dynamical Insights into the Decomposition of 1,2-Dioxetane. Journal of Chemical Theory and Computation 2017 ;Volum 13.(6) s. 2448-2457
UiT Untitled