Stephan P A Sauer
Overview
Explore the profile of Stephan P A Sauer including associated specialties, affiliations and a list of published articles.
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Articles
107
Citations
547
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Recent Articles
1.
Moller C, Sauer S
Magn Reson Chem
. 2025 Feb;
63(4):328-345.
PMID: 39950736
In the pursuit of computational methods which boast both low computational cost and a high degree of accuracy, the SOPPA-derived methods RPA(D) and HRPA(D) are showing great promise. This study...
2.
Ziems K, Kjellgren E, Sauer S, Kongsted J, Coriani S
Chem Sci
. 2025 Feb;
16(10):4456-4468.
PMID: 39926708
The promise of quantum computing to circumvent the exponential scaling of quantum chemistry has sparked a race to develop chemistry algorithms for quantum architecture. However, most works neglect the quantum-inherent...
3.
Reinholdt P, Kjellgren E, Ziems K, Coriani S, Sauer S, Kongsted J
J Phys Chem A
. 2025 Jan;
129(5):1504-1515.
PMID: 39847499
Quantum computing presents a promising avenue for solving complex problems, particularly in quantum chemistry, where it could accelerate the computation of molecular properties and excited states. This work focuses on...
4.
de Giovanetti M, Cormanich R, Sauer S
J Chem Theory Comput
. 2024 Nov;
20(23):10453-10467.
PMID: 39611783
This study evaluates the performance of doubles-corrected random phase approximation (RPA) and higher random phase approximation (HRPA) approaches in predicting nuclear magnetic resonance (NMR) coupling constants involving fluorine. Their performance...
5.
Jessen L, Sauer S, Hemmingsen L
Inorg Chem
. 2024 Nov;
63(50):23614-23619.
PMID: 39610353
Spectroscopic characterization of Hg(II)-thiolate complexes is central to the bioinorganic chemistry of Hg(II). Interpretation of Hg NMR usually relies on data recorded for reference compounds; however, here, it is demonstrated...
6.
Videcrantz Faurschou N, Sauer S, Pedersen C
Chemistry
. 2024 Nov;
31(8):e202403909.
PMID: 39601674
In this study, the mechanism of self-promoted N-glycosylations is extensively investigated through kinetic experiments, computational studies, and nucleophilic competition experiments. Based on the findings, the mechanism is proposed to be...
7.
Schaltz K, Sauer S
Int J Mol Sci
. 2024 Nov;
25(22).
PMID: 39596551
In the original publication [...].
8.
Kjellgren E, Reinholdt P, Ziems K, Sauer S, Coriani S, Kongsted J
J Chem Phys
. 2024 Sep;
161(12).
PMID: 39319646
Calculating molecular properties using quantum devices can be performed through the quantum linear response (qLR) or, equivalently, the quantum equation of motion (qEOM) formulations. Different parameterizations of qLR and qEOM...
9.
Juncker von Buchwald T, Ziems K, Kjellgren E, Sauer S, Kongsted J, Coriani S
J Chem Theory Comput
. 2024 Aug;
PMID: 39106406
The prediction of spectral properties via linear response (LR) theory is an important tool in quantum chemistry for understanding photoinduced processes in molecular systems. With the advances of quantum computing,...
10.
Tosato M, Randhawa P, Asti M, Hemmingsen L, OShea C, Thaveenrasingam P, et al.
Inorg Chem
. 2024 Jul;
63(30):14241-14255.
PMID: 39024562
The interest in mercury radioisotopes, Hg ( = 23.8 h) and Hg ( = 64.14 h), has recently been reignited by the dual diagnostic and therapeutic nature of their nuclear...