Heteroaromatic π-Stacking Energy Landscapes

[Image: see text] In this study we investigate π-stacking interactions of a variety of aromatic heterocycles with benzene using dispersion corrected density functional theory. We calculate extensive potential energy surfaces for parallel-displaced interaction geometries. We find that dispersion cont...

Cur síos iomlán

Na minha lista:
Sonraí Bibleagrafaíochta
Main Authors: Huber, Roland G., Margreiter, Michael A., Fuchs, Julian E., von Grafenstein, Susanne, Tautermann, Christofer S., Liedl, Klaus R., Fox, Thomas
Formáid: Artigo
Teanga:Inglês
Foilsithe: American Chemical Society 2014
Rochtain Ar Líne:https://ncbi.nlm.nih.gov/pmc/articles/PMC4037317/
https://ncbi.nlm.nih.gov/pubmed/24773380
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500183u
Clibeanna: Cuir Clib Leis
Gan Chlibeanna, Bí ar an gcéad duine leis an taifead seo a chlibeáil!

Míreanna Comhchosúla