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Marcel Müller
Marcel Müller
Other namesMarcel Mueller
Mulliken Center for Theoretical Chemistry, University of Bonn
Verified email at thch.uni-bonn.de - Homepage
Title
Cited by
Cited by
Year
ωB97X-3c: A composite range-separated hybrid DFT method with a molecule-optimized polarized valence double-ζ basis set
M Müller, A Hansen, S Grimme
The Journal of Chemical Physics 158 (1), 2023
272023
Do the P1 and P2 hairpins of the Guanidine-II riboswitch interact?
C Wuebben, MF Vicino, M Mueller, O Schiemann
Nucleic acids research 48 (18), 10518-10526, 2020
192020
A non-self-consistent tight-binding electronic structure potential in a polarized double-ζ basis set for all spd-block elements up to Z= 86
S Grimme, M Müller, A Hansen
The Journal of Chemical Physics 158 (12), 2023
72023
An environmentally responsible route to tezacaftor, a drug for treatment of cystic fibrosis prepared in water via ppm Au catalysis as entry to 2-substituted indoles
N Fleck, RM Thomas, M Müller, S Grimme, BH Lipshutz
Green Chemistry 24 (17), 6517-6523, 2022
62022
An atom-in-molecule adaptive polarized valence single-ζ atomic orbital basis for electronic structure calculations
M Müller, A Hansen, S Grimme
The Journal of Chemical Physics 159 (16), 2023
42023
CREST—A program for the exploration of low-energy molecular chemical space
P Pracht, S Grimme, C Bannwarth, F Bohle, S Ehlert, G Feldmann, ...
The Journal of Chemical Physics 160 (11), 2024
32024
Frustrated Lewis‐Pair Neighbors at the Xanthene Framework: Epimerization at Phosphorus and Cooperative Formation of Macrocyclic Adduct Structures
K Škoch, CG Daniliuc, G Kehr, S Ehlert, M Müller, S Grimme, G Erker
Chemistry–A European Journal 27 (47), 12104-12114, 2021
32021
Stereochemical Behavior of Pairs of P‐stereogenic Phosphanyl Groups at the Dimethylxanthene Backbone
K Škoch, CG Daniliuc, M Müller, S Grimme, G Kehr, G Erker
Chemistry–A European Journal 28 (20), e202200248, 2022
22022
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