Stefan Grimme

220PUBLICATIONS
327CO-AUTHORS
Chemical thermodynamics and energeticsOrganometallic chemistryNonlinear optics and spectroscopyTheoretical quantum chemistryMetal cluster chemistry
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Publications (220)

|Sep 18, 2026
Structural flexibility and hydrogen bonding of aqueous vitamin C: Raman and UV spectroscopic and computational insights.

|Sep 12, 2026
Synergistic Silylium-Ion and Palladium Catalysis Enables Migratory Alkene Silylation With Allylsilanes by Formal C-H/C-Si Metathesis.

|Sep 04, 2026
Vibrational Spectra, Conformations, and Optical Rotation of Aqueous Amino Acids: Zwitterions of L-Alanine and L-Valine.

|Aug 06, 2026
The rocky path of DFT into chemistry-Discussions at a symposium and reflections on a circular journey in honor of Axel Becke 1953-2025.

|Aug 05, 2026
q-vSZPs: A polarized, adaptive minimal Gaussian basis set for the elements Z = 1-86 designed for efficient mean-field electronic structure calculations.

|Jul 20, 2026
Conformation-Guided Remote C-H Functionalization of Aromatic Compounds.

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Frequent Collaborators

45 joint publications

Andreas Hansen

40 joint publications

Zheng-Wang Qu

35 joint publications

Markus Bursch

17 joint publications

Douglas W Stephan