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Year | Number of Results |
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2007 | 1 |
2018 | 2 |
2019 | 1 |
2023 | 3 |
2024 | 0 |
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Page 1
Serenity: A subsystem quantum chemistry program.
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
Embedded Localized Molecular-Orbital Representations for Periodic Wave Functions.
Pauls M, Schnieders D, Dronskowski R.
Pauls M, et al. Among authors: schnieders d.
J Phys Chem A. 2023 Aug 10;127(31):6541-6551. doi: 10.1021/acs.jpca.3c02283. Epub 2023 Jul 31.
J Phys Chem A. 2023.
PMID: 37523466
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On the atomistic origin of the polymorphism and the dielectric physical properties of beryllium oxide.
Reitz LS, Müller PC, Schnieders D, Dronskowski R, Choi WI, Son WJ, Jang I, Kim DS.
Reitz LS, et al. Among authors: schnieders d.
J Comput Chem. 2023 Apr 15;44(10):1052-1063. doi: 10.1002/jcc.27064. Epub 2023 Jan 5.
J Comput Chem. 2023.
PMID: 36602234
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Structural Transformation in LnHS (Ln = La, Nd, Gd, and Er) with Coordination Change between an S-Centered Octahedron and a Trigonal Prism.
Ubukata H, Kato D, Kitade S, Broux T, Tassel C, Schnieders D, Dronskowski R, Kageyama H.
Ubukata H, et al. Among authors: schnieders d.
Inorg Chem. 2023 May 1;62(17):6696-6703. doi: 10.1021/acs.inorgchem.3c00238. Epub 2023 Apr 20.
Inorg Chem. 2023.
PMID: 37079628
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Metal Hydride Vibrations: The Trans Effect of the Hydride.
Schnieders D, Tsui BTH, Sung MMH, Bortolus MR, Schrobilgen GJ, Neugebauer J, Morris RH.
Schnieders D, et al.
Inorg Chem. 2019 Sep 16;58(18):12467-12479. doi: 10.1021/acs.inorgchem.9b02302. Epub 2019 Aug 28.
Inorg Chem. 2019.
PMID: 31456395
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Accurate embedding through potential reconstruction: A comparison of different strategies.
Schnieders D, Neugebauer J.
Schnieders D, et al.
J Chem Phys. 2018 Aug 7;149(5):054103. doi: 10.1063/1.5037638.
J Chem Phys. 2018.
PMID: 30089368
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Structural, kinetic, and theoretical studies on models of the zinc-containing phosphodiesterase active center: medium-dependent reaction mechanisms.
Selmeczi K, Michel C, Milet A, Gautier-Luneau I, Philouze C, Pierre JL, Schnieders D, Rompel A, Belle C.
Selmeczi K, et al. Among authors: schnieders d.
Chemistry. 2007;13(32):9093-106. doi: 10.1002/chem.200700104.
Chemistry. 2007.
PMID: 17680569
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