Dataset allowing for the identification of three new synthetic cannabimimetics featuring a norbornyl methyl side chain by spectrometric and spectroscopic techniques

Autor: Benedikt Pulver, Jan Riedel, Torsten Schönberger, Michael Pütz, Jan Schäper, Natalie Kunert, Klaus Putzer, Gunter Hermann, Volker Auwärter, Folker Westphal

Publikováno v: Data in Brief, Vol 39, Iss , Pp 107628- (2021)

Synthetic cannabimimetics (SC) are a diverse group of new psychoactive substances with varying potency and harm potential. New SCs appear on the drug market every year, and reliable and correct identification of these new derivatives independent from

Externí odkaz: https://doaj.org/article/1e2c1cc2457745379547e80a44ea8f8f

Imaging the Ultrafast Photoelectron Transfer Process in Alizarin-TiO2

Autor: Tatiana Gomez, Gunter Hermann, Ximena Zarate, Jhon Fredy Pérez-Torres, Jean Christophe Tremblay

Publikováno v: Molecules, Vol 20, Iss 8, Pp 13830-13853 (2015)

In this work, we adopt a quantum mechanical approach based on time-dependent density functional theory (TDDFT) to study the optical and electronic properties of alizarin supported on TiO2 nano-crystallites, as a prototypical dye-sensitized solar cell

Externí odkaz: https://doaj.org/article/88997a4d300c4333ad3b5d82a0b3ad5b

Artificial intelligence in research and development for sustainability: the centrality of explicability and research data management

Autor: Gunter Hermann, Erik Hermann

Publikováno v: AI and Ethics. 2:29-33

Sustainability constitutes a focal challenge and objective of our time and requires collaborative efforts. As artificial intelligence brings forth substantial opportunities for innovations across industry and social contexts, so it provides innovatio

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::88b1c44e173ef5fb21ee9726dc741f1c
https://doi.org/10.1007/s43681-021-00114-8

Tuning PtII‐Based Donor–Acceptor Systems through Ligand Design: Effects on Frontier Orbitals, Redox Potentials, UV/Vis/NIR Absorptions, Electrochromism, and Photocatalysis

Autor: Gunter Hermann, Noah Z. Subat, Andrew L. Ostericher, Jean Christophe Tremblay, Biprajit Sarkar, Margarethe Behr-van der Meer, Julia Beerhues, Lisa Suntrup, Uta Albold, Sebastian Sobottka, Maite Nößler, Stephan Hohloch

Publikováno v: Chemistry (Weinheim an Der Bergstrasse, Germany)
Chemistry-A European Journal
Chemistry-A European Journal, Wiley-VCH Verlag, 2020, 26 (6), pp.1314-1327. ⟨10.1002/chem.201903700⟩

Asymmetric platinum donor–acceptor complexes [(pimp)Pt(Q2−)] are presented in this work, in which pimp=[(2,4,6‐trimethylphenylimino)methyl]pyridine and Q2−=catecholate‐type donor ligands. The properties of the complexes are evaluated as a f

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4da0f426aafffad8f4d71db71e3607ed
http://europepmc.org/articles/PMC7027812

Time-resolved imaging of correlation-driven charge migration in light-induced molecular magnets by X-ray scattering

Autor: Jean Christophe Tremblay, Gunter Hermann, Vincent Pohl, Gopal Dixit

Publikováno v: Faraday Discussions
Faraday Discussions, Royal Society of Chemistry, 2021, 228, pp.82-103. ⟨10.1039/D0FD00116C⟩

In this contribution, we investigate the effect of correlation-induced charge migration on the stability of light-induced ring currents, with potential application as molecular magnets. Laser-driven electron dynamics is simulated using density-matrix

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::0a209b011bb6ec9589f5b2641227d319
https://pubmed.ncbi.nlm.nih.gov/33564806