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Słowo kluczowe computational chemistry
2017
Clathrate structure determination by combining crystal structure prediction with computational and experimental 129Xe NMR spectroscopy.
Selent Marcin P., Nyman Jonas, Roukala Juho, Ilczyszyn Marek, Oilunkaniemi Raija, Bygrave Peter J., Laitinen Risto, Jokisaari Jukka, Day Graeme M., Lantto Perttu
2015
Experimental and computational insights into carbon dioxide fixation by RZnOH species.
Sokołowski Kamil, Bury Wojciech, Tulewicz Adam, Cieślak Anna M., Justyniak Iwona, Kubicki Dominik, Krajewska Elżbieta, Milet Anne, Moszyński Robert, Lewiński Janusz
2016
Force-induced reversal of β-eliminations : stressed disulfide bonds in alkaline solution.
Dopieralski Przemysław, Ribas-Arino Jordi, Anjukandi Padmesh, Krupička Martin, Marx Dominik
2015
Isolated glyoxylic acid–water 1:1 complexes in low temperature argon matrices.
Lundell Jan, Olbert-Majkut Adriana
2017
Unclicking the click : metal-assisted mechanochemical cycloreversion of triazoles is possible.
Krupička Martin, Dopieralski Przemysław, Marx Dominik