Molecular electromagnetism: a computational chemistry approach

por Sauer, Stephan P A
Publicado 2011

A Theoretical Study of Hydrogen Abstraction Reactions in Guanosine and Uridine

por Schaltz, Kasper F., Sauer, Stephan P. A.
Publicado 2023

Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies

por Haase, Pi A. B., Faber, Rasmus, Provasi, Patricio F., Sauer, Stephan P. A.
Publicado 2019

Estimating the accuracy of calculated electron paramagnetic resonance hyperfine couplings for a lytic polysaccharide monooxygenase

por Theibich, Yusuf A., Sauer, Stephan P.A., Leggio, Leila Lo, Hedegård, Erik D.
Publicado 2020

Relativistic DFT Calculations of Hyperfine Coupling Constants in 5d Hexafluorido Complexes: [ReF(6)](2−) and [IrF(6)](2−)

por Haase, Pi A. B., Repisky, Michal, Komorovsky, Stanislav, Bendix, Jesper, Sauer, Stephan P. A.
Publicado 2017

A Combined Experimental and Theoretical Study of ESR Hyperfine Coupling Constants for N,N,N’,N’-Tetrasubstituted p-Phenylenediamine Radical Cations

por Gleeson, Ronan, Andersen, Cecilie L., Rapta, Peter, Machata, Peter, Christensen, Jørn B., Hammerich, Ole, Sauer, Stephan P. A.
Publicado 2023

Azadioxatriangulenium and Diazaoxatriangulenium: Quantum Yields and Fundamental Photophysical Properties

por Bogh, Sidsel A., Simmermacher, Mats, Westberg, Michael, Bregnhøj, Mikkel, Rosenberg, Martin, De Vico, Luca, Veiga, Manoel, Laursen, Bo W., Ogilby, Peter R., Sauer, Stephan P. A., Sørensen, Thomas Just
Publicado 2017

Free Molecule Studies by Perturbed $\gamma - \gamma$ Angular Correlation: A New Path to Accurate Nuclear Quadrupole Moments

por Haas, Heinz, Röder, Jens, Correia, Joao G, Schell, J, Fenta, Abel S, Vianden, Reiner, Larsen, Emil M H, Aggelund, Patrick A, Fromsejer, Rasmus, Hemmingsen, Lars B S, Sauer, Stephan P A, Lupascu, Doru C, Amaral, Vitor S
Publicado 2021

Magnesium(II)‐ATP Complexes in 1‐Ethyl‐3‐Methylimidazolium Acetate Solutions Characterized by (31)Mg β‐Radiation‐Detected NMR Spectroscopy

por McFadden, Ryan M. L., Szunyogh, Dániel, Bravo‐Frank, Nicholas, Chatzichristos, Aris, Dehn, Martin H., Fujimoto, Derek, Jancsó, Attila, Johannsen, Silke, Kálomista, Ildikó, Karner, Victoria L., Kiefl, Robert F., Larsen, Flemming H., Lassen, Jens, Levy, C. D. Philip, Li, Ruohong, McKenzie, Iain, McPhee, Hannah, Morris, Gerald D., Pearson, Matthew R., Sauer, Stephan P. A., Sigel, Roland K. O., Thulstrup, Peter W., MacFarlane, W. Andrew, Hemmingsen, Lars, Stachura, Monika
Publicado 2022

The Dalton quantum chemistry program system

por Aidas, Kestutis, Angeli, Celestino, Bak, Keld L, Bakken, Vebjørn, Bast, Radovan, Boman, Linus, Christiansen, Ove, Cimiraglia, Renzo, Coriani, Sonia, Dahle, Pål, Dalskov, Erik K, Ekström, Ulf, Enevoldsen, Thomas, Eriksen, Janus J, Ettenhuber, Patrick, Fernández, Berta, Ferrighi, Lara, Fliegl, Heike, Frediani, Luca, Hald, Kasper, Halkier, Asger, Hättig, Christof, Heiberg, Hanne, Helgaker, Trygve, Hennum, Alf Christian, Hettema, Hinne, Hjertenæs, Eirik, Høst, Stinne, Høyvik, Ida-Marie, Iozzi, Maria Francesca, Jansík, Branislav, Jensen, Hans Jørgen Aa, Jonsson, Dan, Jørgensen, Poul, Kauczor, Joanna, Kirpekar, Sheela, Kjærgaard, Thomas, Klopper, Wim, Knecht, Stefan, Kobayashi, Rika, Koch, Henrik, Kongsted, Jacob, Krapp, Andreas, Kristensen, Kasper, Ligabue, Andrea, Lutnæs, Ola B, Melo, Juan I, Mikkelsen, Kurt V, Myhre, Rolf H, Neiss, Christian, Nielsen, Christian B, Norman, Patrick, Olsen, Jeppe, Olsen, Jógvan Magnus H, Osted, Anders, Packer, Martin J, Pawlowski, Filip, Pedersen, Thomas B, Provasi, Patricio F, Reine, Simen, Rinkevicius, Zilvinas, Ruden, Torgeir A, Ruud, Kenneth, Rybkin, Vladimir V, Sałek, Pawel, Samson, Claire C M, de Merás, Alfredo Sánchez, Saue, Trond, Sauer, Stephan P A, Schimmelpfennig, Bernd, Sneskov, Kristian, Steindal, Arnfinn H, Sylvester-Hvid, Kristian O, Taylor, Peter R, Teale, Andrew M, Tellgren, Erik I, Tew, David P, Thorvaldsen, Andreas J, Thøgersen, Lea, Vahtras, Olav, Watson, Mark A, Wilson, David J D, Ziolkowski, Marcin, Ågren, Hans
Publicado 2014