Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

397 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Intermolecular On-Surface σ-Bond Metathesis.
Gao HY, Held PA, Amirjalayer S, Liu L, Timmer A, Schirmer B, Díaz Arado O, Mönig H, Mück-Lichtenfeld C, Neugebauer J, Studer A, Fuchs H. Gao HY, et al. Among authors: neugebauer j. J Am Chem Soc. 2017 May 24;139(20):7012-7019. doi: 10.1021/jacs.7b02430. Epub 2017 May 10. J Am Chem Soc. 2017. PMID: 28466640
α-Diazo Ketones in On-Surface Chemistry.
Liu L, Klaasen H, Timmer A, Gao HY, Barton D, Mönig H, Neugebauer J, Fuchs H, Studer A. Liu L, et al. Among authors: neugebauer j. J Am Chem Soc. 2018 May 9;140(18):6000-6005. doi: 10.1021/jacs.8b02599. Epub 2018 Apr 18. J Am Chem Soc. 2018. PMID: 29627973
Orbital pair selection for relative energies in the domain-based local pair natural orbital coupled-cluster method.
Bensberg M, Neugebauer J. Bensberg M, et al. Among authors: neugebauer j. J Chem Phys. 2022 Aug 14;157(6):064102. doi: 10.1063/5.0100010. J Chem Phys. 2022. PMID: 35963732
This multi-level approach is significantly more robust than our previously suggested, orbital selection-based multi-level DLPNO-CCSD(T(0)) ansatz [M. Bensberg and J. Neugebauer, J. Chem. Phys. 155, 224102 (2021)] for reactions showing only small changes in th …
This multi-level approach is significantly more robust than our previously suggested, orbital selection-based multi-level DLPNO-CCSD(T(0)) a …
397 results