Peter Kraus
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Explore the profile of Peter Kraus including associated specialties, affiliations and a list of published articles.
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23
Citations
2984
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Recent Articles
1.
Kraus P, Bainglass E, Ramirez F, Svaluto-Ferro E, Ercole L, Kunz B, et al.
J Mater Chem A Mater
. 2024 May;
12(18):10773-10783.
PMID: 38725523
Compliance with good research data management practices means trust in the integrity of the data, and it is achievable by full control of the data gathering process. In this work,...
2.
Bernasconi F, Senocrate A, Kraus P, Battaglia C
EES Catal
. 2023 Nov;
1(6):1009-1016.
PMID: 38013788
We fabricate polymer-based gas diffusion electrodes with controllable microstructure for the electrochemical reduction of CO, by means of electrospinning and physical vapor deposition. We show that the microstructure of the...
3.
Kraus P, Raiteri P, Gale J
Phys Chem Chem Phys
. 2023 May;
25(21):14799-14811.
PMID: 37194375
Robust computational workflows are important for explorative computational studies, especially for cases where detailed knowledge of the system structure or other properties is not available. In this work, we propose...
4.
Reimer S, Seyfried F, Flemming S, Brand M, Weich A, Widder A, et al.
Surg Endosc
. 2022 Jul;
36(12):9169-9178.
PMID: 35852622
Background: Endoscopic vacuum therapy (EVT) is an effective treatment option for leakage of the upper gastrointestinal (UGI) tract. The aim of this study was to evaluate the clinical impact of...
5.
Foppa L, Ghiringhelli L, Girgsdies F, Hashagen M, Kube P, Havecker M, et al.
MRS Bull
. 2022 Feb;
46(11):1016-1026.
PMID: 35221466
Abstract: The performance in heterogeneous catalysis is an example of a complex materials function, governed by an intricate interplay of several processes (e.g., the different surface chemical reactions, and the...
6.
Smith D, Lolinco A, Glick Z, Lee J, Alenaizan A, Barnes T, et al.
J Chem Phys
. 2021 Dec;
155(20):204801.
PMID: 34852489
Community efforts in the computational molecular sciences (CMS) are evolving toward modular, open, and interoperable interfaces that work with existing community codes to provide more functionality and composability than could...
7.
Kraus P
J Chem Theory Comput
. 2021 Aug;
17(9):5651-5660.
PMID: 34351738
Extrapolation of density functional theory results from 2- and 3-ζ calculations is a promising method for extracting higher accuracy data from calculations of systems at the affordability limit. In this...
8.
McNaughton D, Wachsmuth D, Kraus P, Herbers S, Wang J, Grabow J
Chemphyschem
. 2021 Jun;
22(16):1692-1697.
PMID: 34132015
An accurate semi-experimental equilibrium structure of 8-hydroxyquinoline (8-HQ) has been determined combining experiment and theory. The cm-wave rotational spectrum of 8-HQ was recorded in a pulsed supersonic jet using broadband...
9.
Anand M, Baletto F, Bugaev A, Catlow R, Claeys M, Conway M, et al.
Faraday Discuss
. 2021 May;
229:131-160.
PMID: 34008631
No abstract available.
10.
Raiteri P, Kraus P, Gale J
J Chem Phys
. 2020 Nov;
153(16):164714.
PMID: 33138425
The polarized interface between two immiscible liquids plays a central role in many technological processes. In particular, for electroanalytical and ion extraction applications, an external electric field is typically used...