Sfoglia per Autore
Assessment of density functionals for van der Waals complexes of sodium and benzene
2013 Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik
The Dalton quantum chemistry program system
2014 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
Multi-level coupled cluster theory
2014 Myhre, Rolf H.; Sánchez De Merás, Alfredo M. J.; Koch, Henrik
Density Functional Theory Study on the Interactions of Metal Ions with Long Chain Deprotonated Carboxylic Acids
2015 Mehandzhiyski, Aleksandar Y; Riccardi, Enrico; Van Erp, Titus S; Koch, Henrik; Åstrand, Per-Olof; Trinh, Thuat T; Grimes, Brian A.
Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework
2015 Coriani, Sonia; Koch, Henrik
Erratum: Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework (Journal Of Chemical Physics (2015) 143 (181103))
2016 Coriani, Sonia; Koch, Henrik
Optical Rotation Calculations for a Set of Pyrrole Compounds
2016 Haghdani, Shokouh; Gautun, Odd R.; Koch, Henrik; Åstrand, Per-Olof
Optical Rotation Calculations for Fluorinated Alcohols, Amines, Amides, and Esters
2016 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof
A ReaxFF force field for sodium intrusion in graphitic cathodes
2016 Hjertenæs, Eirik; Nguyen, Anh Quynh; Koch, Henrik
The multilevel CC3 coupled cluster model
2016 Myhre, Rolf H.; Koch, Henrik
Near-Edge X-ray Absorption Fine Structure within Multilevel Coupled Cluster Theory
2016 Myhre, Rolf H.; Coriani, Sonia; Koch, Henrik
Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence
2016 Haghdani, Shokouh; Åstrand, Per-Olof; Koch, Henrik
Potential Energy Surfaces and Charge Transfer of PAH-Sodium-PAH Complexes
2016 Hjertenæs, Eirik; Andersson, Stefan; Koch, Henrik
Chemically accurate energy barriers of small gas molecules moving through hexagonal water rings
2016 Hjertenæs, Eirik; Trinh, Thuat T.; Koch, Henrik
Correlated natural transition orbitals for core excitation energies in multilevel coupled cluster models
2017 Høyvik, Ida-Marie; Myhre, Rolf Heilemann; Koch, Henrik
Crossing conditions in coupled cluster theory
2017 Kjønstad, Eirik F.; Myhre, Rolf H.; Martínez, Todd J.; Koch, Henrik
Probing ultrafast ππ*/nπ* internal conversion in organic chromophores via K-edge resonant absorption
2017 Wolf, T. J. A.; Myhre, R. H.; Cryan, J. P.; Coriani, S.; Squibb, R. J.; Battistoni, A.; Berrah, N.; Bostedt, C.; Bucksbaum, P.; Coslovich, G.; Feifel, R.; Gaffney, K. J.; Grilj, J.; Martinez, T. J.; Miyabe, S.; Moeller, S. P.; Mucke, M.; Natan, A.; Obaid, R.; Osipov, T.; Plekan, O.; Wang, S.; Koch, H.; Gühr, M.
Resolving the notorious case of conical intersections for coupled cluster dynamics
2017 Kjønstad, Eirik F.; Koch, Henrik
Solvent Effects on Optical Rotation: On the Balance between Hydrogen Bonding and Shifts in Dihedral Angles
2017 Haghdani, Shokouh; Hoff, Bård Helge; Koch, Henrik; Åstrand, Per-Olof
Tautomerization of Thymine Using Ultraviolet Light
2017 Vinje, Jakob; Falck, Merete; Mazzola, Federico; Cooil, Simon Phillip; Koch, Henrik; Høyvik, Ida-Marie; Wells, Justin
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