Klopper W - Search Results

1

Calculation of magnetically induced currents in hydrocarbon nanorings.

Taubert S, Sundholm D, Jusélius J, Klopper W, Fliegl H. Taubert S, et al. Among authors: klopper w. J Phys Chem A. 2008 Dec 25;112(51):13584-92. doi: 10.1021/jp805086q. J Phys Chem A. 2008. PMID: 19055397

2

Coupled-cluster theory with simplified linear-r(12) corrections: the CCSD(R12) model.

Fliegl H, Klopper W, Hättig C. Fliegl H, et al. Among authors: klopper w. J Chem Phys. 2005 Feb 22;122(8):84107. doi: 10.1063/1.1850094. J Chem Phys. 2005. PMID: 15836020

3

Coupled-cluster response theory with linear-r12 corrections: the CC2-R12 model for excitation energies.

Fliegl H, Hättig C, Klopper W. Fliegl H, et al. Among authors: klopper w. J Chem Phys. 2006 Jan 28;124(4):044112. doi: 10.1063/1.2161183. J Chem Phys. 2006. PMID: 16460154

4

Accurate computational determination of the binding energy of the SO3 x H2O complex.

Fliegl H, Glöss A, Welz O, Olzmann M, Klopper W. Fliegl H, et al. Among authors: klopper w. J Chem Phys. 2006 Aug 7;125(5):054312. doi: 10.1063/1.2234372. J Chem Phys. 2006. PMID: 16942218

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

Magnetically induced current densities in aromatic, antiaromatic, homoaromatic, and nonaromatic hydrocarbons.

Fliegl H, Sundholm D, Taubert S, Jusélius J, Klopper W. Fliegl H, et al. Among authors: klopper w. J Phys Chem A. 2009 Jul 30;113(30):8668-76. doi: 10.1021/jp9029776. J Phys Chem A. 2009. PMID: 19586004

8

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

9

Ridge-tile-like chiral topology: synthesis, resolution, and complete chiroptical characterization of enantiomers of edge-sharing binuclear square planar complexes of Ni(II) bearing achiral ligands.

Soloshonok VA, Ono T, Ueki H, Vanthuyne N, Balaban TS, Bürck J, Fliegl H, Klopper W, Naubron JV, Bui TT, Drake AF, Roussel C. Soloshonok VA, et al. Among authors: klopper w. J Am Chem Soc. 2010 Aug 4;132(30):10477-83. doi: 10.1021/ja103296g. J Am Chem Soc. 2010. PMID: 20662525

10

Mechanochemistry: the effect of dynamics.

Smalø HS, Rybkin VV, Klopper W, Helgaker T, Uggerud E. Smalø HS, et al. Among authors: klopper w. J Phys Chem A. 2014 Sep 11;118(36):7683-94. doi: 10.1021/jp504959z. Epub 2014 Aug 26. J Phys Chem A. 2014. PMID: 25105205

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