Stoll H - Search Results

1

CpIr(dab) (dab = 1,4-Bis(2,6-dimethylphenyl)-1,4-diazabutadiene): A Coordinatively Unsaturated Six-pi-Electron Metallaheteroaromatic Compound?

Greulich S, Kaim W, Stange AF, Stoll H, Fiedler J, Zális S. Greulich S, et al. Among authors: stoll h. Inorg Chem. 1996 Jun 19;35(13):3998-4002. doi: 10.1021/ic9514814. Inorg Chem. 1996. PMID: 11666595

2

The d(0), d(1) and d(2) Configurations in Known and Unknown Tetrathiometal Compounds MS(4)(n)()(-) (M = Mo, Tc, Ru; W, Re, Os). A Quantum Chemical Study.

Zális S, Stoll H, Baerends EJ, Kaim W. Zális S, et al. Among authors: stoll h. Inorg Chem. 1999 Dec 27;38(26):6101-6105. doi: 10.1021/ic990891f. Inorg Chem. 1999. PMID: 11671319

3

Replacement of 2,2'-bipyridine by 1,4-diazabutadiene acceptor ligands: why the bathochromic shift for [(N empty set N)IrCl(C5Me5)]+ complexes but the hypsochromic shift for (N empty set N)Ir(C5Me5)?

Zális S, Sieger M, Greulich S, Stoll H, Kaim W. Zális S, et al. Among authors: stoll h. Inorg Chem. 2003 Aug 25;42(17):5185-91. doi: 10.1021/ic034464k. Inorg Chem. 2003. PMID: 12924889

4

Reduced and excited states of the intermediates (alpha-diimine)(C5R5)Rh in hydride transfer catalysis schemes: EPR and resonance Raman spectroscopy, and comparative DFT calculations of Co, Rh and Ir analogues.

Sieger M, Kaim W, Stufkens DJ, Snoeck TL, Stoll H, Zalis S. Sieger M, et al. Among authors: stoll h. Dalton Trans. 2004 Nov 21;(22):3815-21. doi: 10.1039/b411892h. Epub 2004 Oct 14. Dalton Trans. 2004. PMID: 15540123

5

Energy-consistent pseudopotentials for the 5d elements--benchmark calculations for oxides, nitrides, and Pt(2).

Spohn B, Goll E, Stoll H, Figgen D, Peterson KA. Spohn B, et al. Among authors: stoll h. J Phys Chem A. 2009 Nov 12;113(45):12478-84. doi: 10.1021/jp903543f. J Phys Chem A. 2009. PMID: 19888774

6

Toward a wave-function-based treatment of metals: extrapolation from finite clusters.

Stoll H. Stoll H. J Phys Chem A. 2009 Oct 29;113(43):11483-6. doi: 10.1021/jp900955h. J Phys Chem A. 2009. PMID: 19848423

7

Relativistic energy-consistent pseudopotentials--recent developments.

Stoll H, Metz B, Dolg M. Stoll H, et al. J Comput Chem. 2002 Jun;23(8):767-78. doi: 10.1002/jcc.10037. J Comput Chem. 2002. PMID: 12012353

8

On the ionization energy of HfO.

Stoll H, Peterson KA, Merritt JM, Heaven MC. Stoll H, et al. J Phys Chem A. 2009 Nov 12;113(45):12353-5. doi: 10.1021/jp904936x. J Phys Chem A. 2009. PMID: 19888771

9

Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes.

Goll E, Leininger T, Manby FR, Mitrushchenkov A, Werner HJ, Stoll H. Goll E, et al. Among authors: stoll h. Phys Chem Chem Phys. 2008 Jun 21;10(23):3353-7. doi: 10.1039/b804672g. Epub 2008 May 16. Phys Chem Chem Phys. 2008. PMID: 18535717

10

Accurate potential energy surface and calculated spectroscopic properties for CdH2 isotopomers.

Sebald P, Oswald R, Botschwina P, Stoll H, Figgen D. Sebald P, et al. Among authors: stoll h. J Phys Chem A. 2009 Oct 29;113(43):11772-82. doi: 10.1021/jp9029198. J Phys Chem A. 2009. PMID: 19848427

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