Photoinduced electron transfer in host–guest complexes of double nanohoops
Computational Chemistry Daily,
link.springer.com - The chemistry of hoop-shaped π-conjugated molecules has increased dramatically in recent years. We present…
link.springer.com - The chemistry of hoop-shaped π-conjugated molecules has increased dramatically in recent years. We present…
link.springer.com - About half a century after its little-known beginnings, the quantum topological approach called QTAIM has…
researchsquare.com - The proteases from SARS-CoV-2, i.e., Mpro and PLpro, are important targets for the development of…
link.springer.com - We present a comparison of the performances of three continuum solvation models, namely the Solvation Model…
Для этого они подводили золотой зонд к слою графена и прикладывали разность потенциалов
pubs.acs.org - Direct optimization against experimental condensed-phase properties concerning small organic molecules still…
pubs.acs.org - Experimental solvation free energies are nowadays commonly included as target properties in the validation and…
link.springer.com - To shed new light on the electronic structure of [Fe(CO)3(NO)]¯ complex ion, DFT-based analysis of the…
Bučko, Tomáš, Sébastien Lebègue, Jürgen Hafner, and János G. Ángyán. "Improved density dependent correction for the description…