Dresselhaus T - Search Results

1

Coupling electrons and vibrations in molecular quantum chemistry.

Dresselhaus T, Bungey CBA, Knowles PJ, Manby FR. Dresselhaus T, et al. J Chem Phys. 2020 Dec 7;153(21):214114. doi: 10.1063/5.0032900. J Chem Phys. 2020. PMID: 33291918

2

Towards reliable references for electron paramagnetic resonance parameters based on quantum chemistry: the case of verdazyl radicals.

Massolle A , Dresselhaus T , Eusterwiemann S , Doerenkamp C , Eckert H , Studer A , Neugebauer J . Massolle A , et al. Among authors: dresselhaus t. Phys Chem Chem Phys. 2018 Mar 14;20(11):7661-7675. doi: 10.1039/c7cp05657e. Phys Chem Chem Phys. 2018. PMID: 29497710

3

Erratum: "Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment" [J. Chem. Phys. 142, 044111 (2015)].

Dresselhaus T, Neugebauer J, Knecht S, Keller S, Ma Y, Reiher M. Dresselhaus T, et al. J Chem Phys. 2015 May 14;142(18):189901. doi: 10.1063/1.4921162. J Chem Phys. 2015. PMID: 25978915 No abstract available.

4

Strong intermolecular antiferromagnetic verdazyl-verdazyl coupling in the solid state.

Eusterwiemann S, Doerenkamp C, Dresselhaus T, Janka O, de Oliveira M Jr, Daniliuc CG, Eckert H, Neugebauer J, Pöttgen R, Studer A. Eusterwiemann S, et al. Among authors: dresselhaus t. Phys Chem Chem Phys. 2017 Jun 21;19(24):15681-15685. doi: 10.1039/c7cp02950k. Phys Chem Chem Phys. 2017. PMID: 28604873

5

Black-box determination of temperature-dependent susceptibilities for crystalline organic radicals with complex magnetic topologies.

Dresselhaus T, Eusterwiemann S, Matuschek DR, Daniliuc CG, Janka O, Pöttgen R, Studer A, Neugebauer J. Dresselhaus T, et al. Phys Chem Chem Phys. 2016 Oct 12;18(40):28262-28273. doi: 10.1039/c6cp05875b. Phys Chem Chem Phys. 2016. PMID: 27711591

6

Ferro- or antiferromagnetism? Heisenberg chains in the crystal structures of verdazyl radicals.

Eusterwiemann S , Doerenkamp C , Dresselhaus T , Janka O , Daniliuc CG , Pöttgen R , Studer A , Eckert H , Neugebauer J . Eusterwiemann S , et al. Among authors: dresselhaus t. Phys Chem Chem Phys. 2018 Sep 12;20(35):22902-22908. doi: 10.1039/c8cp03332c. Phys Chem Chem Phys. 2018. PMID: 30152489

7

Cooperative Magnetism in Crystalline N-Aryl-Substituted Verdazyl Radicals: First-Principles Predictions and Experimental Results.

Eusterwiemann S, Dresselhaus T, Doerenkamp C, Janka O, Niehaus O, Massolle A, Daniliuc CG, Eckert H, Pöttgen R, Neugebauer J, Studer A. Eusterwiemann S, et al. Among authors: dresselhaus t. Chemistry. 2017 May 2;23(25):6069-6082. doi: 10.1002/chem.201700988. Epub 2017 Apr 18. Chemistry. 2017. PMID: 28317202

8

Self-consistent embedding of density-matrix renormalization group wavefunctions in a density functional environment.

Dresselhaus T, Neugebauer J, Knecht S, Keller S, Ma Y, Reiher M. Dresselhaus T, et al. J Chem Phys. 2015 Jan 28;142(4):044111. doi: 10.1063/1.4906152. J Chem Phys. 2015. PMID: 25637973

9

Synthesis and Characterization of the High-Pressure Nickel Borate γ-NiB₄O₇.

Schmitt MK, Janka O, Niehaus O, Dresselhaus T, Pöttgen R, Pielnhofer F, Weihrich R, Krzhizhanovskaya M, Filatov S, Bubnova R, Bayarjargal L, Winkler B, Glaum R, Huppertz H. Schmitt MK, et al. Among authors: dresselhaus t. Inorg Chem. 2017 Apr 3;56(7):4217-4228. doi: 10.1021/acs.inorgchem.7b00243. Epub 2017 Mar 21. Inorg Chem. 2017. PMID: 28323420

10

Serenity: A subsystem quantum chemistry program.

Unsleber JP, Dresselhaus T, Klahr K, Schnieders D, Böckers M, Barton D, Neugebauer J. Unsleber JP, et al. Among authors: dresselhaus t. 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

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