Klopper W - Search Results

1

Ab Initio Study of the Adsorption of Small Molecules on Metal-Organic Frameworks with Oxo-centered Trimetallic Building Units: The Role of the Undercoordinated Metal Ion.

Mavrandonakis A, Vogiatzis KD, Boese AD, Fink K, Heine T, Klopper W. Mavrandonakis A, et al. Among authors: klopper w. Inorg Chem. 2015 Sep 8;54(17):8251-63. doi: 10.1021/acs.inorgchem.5b00689. Epub 2015 Aug 7. Inorg Chem. 2015. PMID: 26252363

2

The spin coupling in the diiron complex [Fe2(hpdta)(H2O)3Cl].

Hübner O, Fink K, Klopper W. Hübner O, et al. Among authors: klopper w. Phys Chem Chem Phys. 2007 Apr 28;9(16):1911-20. doi: 10.1039/b617670d. Epub 2007 Feb 12. Phys Chem Chem Phys. 2007. PMID: 17431519

3

Basis set limit coupled cluster study of h-bonded systems and assessment of more approximate methods.

Boese AD, Martin JM, Klopper W. Boese AD, et al. Among authors: klopper w. J Phys Chem A. 2007 Nov 1;111(43):11122-33. doi: 10.1021/jp072431a. Epub 2007 Oct 11. J Phys Chem A. 2007. PMID: 17929777

4

Ab initio study of the interactions between CO(2) and N-containing organic heterocycles.

Vogiatzis KD, Mavrandonakis A, Klopper W, Froudakis GE. Vogiatzis KD, et al. Among authors: klopper w. Chemphyschem. 2009 Feb 2;10(2):374-83. doi: 10.1002/cphc.200800583. Chemphyschem. 2009. PMID: 19137564

5

Ab initio study of the magnetic exchange coupling constants of a structural model [CaMn(3)(III)Mn(II)] of the oxygen evolving center in photosystem II.

Fliegl H, Fink K, Klopper W, Anson CE, Powell AK, Clérac R. Fliegl H, et al. Among authors: klopper w. Phys Chem Chem Phys. 2009 May 28;11(20):3900-9. doi: 10.1039/b819444k. Epub 2009 Mar 12. Phys Chem Chem Phys. 2009. PMID: 19440618

6

Expanding the coordination cage: a ruthenium(II)-polypyridine complex exhibiting high quantum yields under ambient conditions.

Schramm F, Meded V, Fliegl H, Fink K, Fuhr O, Qu Z, Klopper W, Finn S, Keyes TE, Ruben M. Schramm F, et al. Among authors: klopper w. Inorg Chem. 2009 Jul 6;48(13):5677-84. doi: 10.1021/ic802040v. Inorg Chem. 2009. PMID: 19507851

7

Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride.

Boese AD, Jansen G, Torheyden M, Höfener S, Klopper W. Boese AD, et al. Among authors: klopper w. Phys Chem Chem Phys. 2011 Jan 21;13(3):1230-8. doi: 10.1039/c0cp01493a. Epub 2010 Nov 19. Phys Chem Chem Phys. 2011. PMID: 21103475

8

The formal combination of three singlet biradicaloid entities to a singlet hexaradicaloid metalloid Ge14[Si(SiMe3)3]5[Li(THF)2]3 cluster.

Schenk C, Kracke A, Fink K, Kubas A, Klopper W, Neumaier M, Schnöckel H, Schnepf A. Schenk C, et al. Among authors: klopper w. J Am Chem Soc. 2011 Mar 2;133(8):2518-24. doi: 10.1021/ja107446z. Epub 2011 Feb 8. J Am Chem Soc. 2011. PMID: 21302926

9

Magnetic properties of paddlewheels and trinuclear clusters with exposed metal sites.

Vogiatzis KD, Klopper W, Mavrandonakis A, Fink K. Vogiatzis KD, et al. Among authors: klopper w. Chemphyschem. 2011 Dec 9;12(17):3307-19. doi: 10.1002/cphc.201100559. Epub 2011 Nov 7. Chemphyschem. 2011. PMID: 22144373

10

Synthesis, structure, and characterization of dinuclear copper(I) halide complexes with P^N ligands featuring exciting photoluminescence properties.

Zink DM, Bächle M, Baumann T, Nieger M, Kühn M, Wang C, Klopper W, Monkowius U, Hofbeck T, Yersin H, Bräse S. Zink DM, et al. Among authors: klopper w. Inorg Chem. 2013 Mar 4;52(5):2292-305. doi: 10.1021/ic300979c. Epub 2012 Oct 12. Inorg Chem. 2013. PMID: 23061380

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