A benchmark study of aromaticity indexes for benzene, pyridine and the diazines – I. Ground state aromaticity

por Pedersen, Jacob, Mikkelsen, Kurt V.
Publicado 2022

Molecular solar thermal systems – control of light harvesting and energy storage by protonation/deprotonation

por Kilde, Martin Drøhse, Arroyo, Paloma Garcia, Gertsen, Anders S., Mikkelsen, Kurt V., Nielsen, Mogens Brøndsted
Publicado 2018

Subphthalocyanine–triangulene dyads: Property tuning for light‐harvesting device applications

por Rasmussen, Mads Georg, Jespersen, Malte Frydenlund, Blacque, Olivier, Mikkelsen, Kurt V., Juríček, Michal, Nielsen, Mogens Brøndsted
Publicado 2022

Photo- and Collision-Induced Isomerization of a Charge-Tagged Norbornadiene–Quadricyclane System

por Jacovella, Ugo, Carrascosa, Eduardo, Buntine, Jack T., Ree, Nicolai, Mikkelsen, Kurt V., Jevric, Martyn, Moth-Poulsen, Kasper, Bieske, Evan J.
Publicado 2020

Coupled cluster theory on modern heterogeneous supercomputers

por Corzo, Hector H., Hillers-Bendtsen, Andreas Erbs, Barnes, Ashleigh, Zamani, Abdulrahman Y., Pawłowski, Filip, Olsen, Jeppe, Jørgensen, Poul, Mikkelsen, Kurt V., Bykov, Dmytro
Publicado 2023

Corrigendum: Coupled cluster theory on modern heterogeneous supercomputers

por Corzo, Hector H., Hillers-Bendtsen, Andreas Erbs, Barnes, Ashleigh, Zamani, Abdulrahman Y., Pawłowski, Filip, Olsen, Jeppe, Jørgensen, Poul, Mikkelsen, Kurt V., Bykov, Dmytro
Publicado 2023

Synthesis, characterization and computational evaluation of bicyclooctadienes towards molecular solar thermal energy storage

por Quant, Maria, Hillers-Bendtsen, Andreas Erbs, Ghasemi, Shima, Erdelyi, Mate, Wang, Zhihang, Muhammad, Lidiya M., Kann, Nina, Mikkelsen, Kurt V., Moth-Poulsen, Kasper
Publicado 2021

Tracking molecular resonance forms of donor–acceptor push–pull molecules by single-molecule conductance experiments

por Lissau, Henriette, Frisenda, Riccardo, Olsen, Stine T., Jevric, Martyn, Parker, Christian R., Kadziola, Anders, Hansen, Thorsten, van der Zant, Herre S. J., Brøndsted Nielsen, Mogens, Mikkelsen, Kurt V.
Publicado 2015

Synthesis of radiaannulene oligomers to model the elusive carbon allotrope 6,6,12-graphyne

por Kilde, Martin Drøhse, Murray, Adrian H., Andersen, Cecilie Lindholm, Storm, Freja Eilsø, Schmidt, Katrin, Kadziola, Anders, Mikkelsen, Kurt V., Hampel, Frank, Hammerich, Ole, Tykwinski, Rik R., Nielsen, Mogens Brøndsted
Publicado 2019

Single-molecule detection of dihydroazulene photo-thermal reaction using break junction technique

por Huang, Cancan, Jevric, Martyn, Borges, Anders, Olsen, Stine T., Hamill, Joseph M., Zheng, Jue-Ting, Yang, Yang, Rudnev, Alexander, Baghernejad, Masoud, Broekmann, Peter, Petersen, Anne Ugleholdt, Wandlowski, Thomas, Mikkelsen, Kurt V., Solomon, Gemma C., Brøndsted Nielsen, Mogens, Hong, Wenjing
Publicado 2017

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