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peter arendts
(1 results)?
Small Molecules-Big Data.
J Phys Chem A. 2016 Nov 17;120(45):8949-8969. doi: 10.1021/acs.jpca.6b02293. Epub 2016 Oct 12.
J Phys Chem A. 2016.
PMID: 27673472
Verification labels for rovibronic quantum-state energy uncertainties.
Árendás P, Furtenbacher T, Császár AG.
Árendás P, et al.
Sci Rep. 2024 Jan 8;14(1):794. doi: 10.1038/s41598-023-46665-0.
Sci Rep. 2024.
PMID: 38191619
Free PMC article.
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Normal-Mode Vibrational Analysis of Weakly Bound Oligomers at Constrained Stationary Points of Arbitrary Order.
Tóbiás R, Árendás P, Császár AG.
Tóbiás R, et al. Among authors: arendas p.
J Chem Theory Comput. 2022 Mar 8;18(3):1788-1798. doi: 10.1021/acs.jctc.1c01148. Epub 2022 Feb 24.
J Chem Theory Comput. 2022.
PMID: 35201747
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Simple molecules as complex systems.
Furtenbacher T, Arendás P, Mellau G, Császár AG.
Furtenbacher T, et al. Among authors: arendas p.
Sci Rep. 2014 Apr 11;4:4654. doi: 10.1038/srep04654.
Sci Rep. 2014.
PMID: 24722221
Free PMC article.
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Comment on "Wigner numbers" [J. Chem. Phys. 151, 244122 (2019)].
Árendás P, Császár AG.
Árendás P, et al.
J Chem Phys. 2021 Feb 28;154(8):087101. doi: 10.1063/5.0040954.
J Chem Phys. 2021.
PMID: 33639758
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Selecting lines for spectroscopic (re)measurements to improve the accuracy of absolute energies of rovibronic quantum states.
Árendás P, Furtenbacher T, Császár AG.
Árendás P, et al.
J Cheminform. 2021 Sep 16;13(1):67. doi: 10.1186/s13321-021-00534-y.
J Cheminform. 2021.
PMID: 34530903
Free PMC article.
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