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Page 1
Serenity: A subsystem quantum chemistry program.
Unsleber JP, Dresselhaus T, Klahr K, Schnieders D, Böckers M, Barton D, Neugebauer J. Unsleber JP, et al. J Comput Chem. 2018 May 15;39(13):788-798. doi: 10.1002/jcc.25162. Epub 2018 Jan 10. J Comput Chem. 2018. PMID: 29322533
The Exploration of Chemical Reaction Networks.
Unsleber JP, Reiher M. Unsleber JP, et al. Annu Rev Phys Chem. 2020 Apr 20;71:121-142. doi: 10.1146/annurev-physchem-071119-040123. Epub 2020 Feb 19. Annu Rev Phys Chem. 2020. PMID: 32105566
Expansive Quantum Mechanical Exploration of Chemical Reaction Paths.
Baiardi A, Grimmel SA, Steiner M, Türtscher PL, Unsleber JP, Weymuth T, Reiher M. Baiardi A, et al. Among authors: unsleber jp. Acc Chem Res. 2022 Jan 4;55(1):35-43. doi: 10.1021/acs.accounts.1c00472. Epub 2021 Dec 17. Acc Chem Res. 2022. PMID: 34918903
Solvation Free Energies in Subsystem Density Functional Theory.
Bensberg M, Türtscher PL, Unsleber JP, Reiher M, Neugebauer J. Bensberg M, et al. Among authors: unsleber jp. J Chem Theory Comput. 2022 Feb 8;18(2):723-740. doi: 10.1021/acs.jctc.1c00864. Epub 2022 Jan 5. J Chem Theory Comput. 2022. PMID: 34985890
SCINE-Software for chemical interaction networks.
Weymuth T, Unsleber JP, Türtscher PL, Steiner M, Sobez JG, Müller CH, Mörchen M, Klasovita V, Grimmel SA, Eckhoff M, Csizi KS, Bosia F, Bensberg M, Reiher M. Weymuth T, et al. Among authors: unsleber jp. J Chem Phys. 2024 Jun 14;160(22):222501. doi: 10.1063/5.0206974. J Chem Phys. 2024. PMID: 38857173
Heron: Visualizing and Controlling Chemical Reaction Explorations and Networks.
Müller CH, Steiner M, Unsleber JP, Weymuth T, Bensberg M, Csizi KS, Mörchen M, Türtscher PL, Reiher M. Müller CH, et al. Among authors: unsleber jp. J Phys Chem A. 2024 Oct 17;128(41):9028-9044. doi: 10.1021/acs.jpca.4c03936. Epub 2024 Oct 3. J Phys Chem A. 2024. PMID: 39360814 Free PMC article.
13 results