Stoll H - Search Results

1

Understanding the Uniqueness of 2p Elements in Periodic Tables.

Wang ZL, Hu HS, von Szentpály L, Stoll H, Fritzsche S, Pyykkö P, Schwarz WHE, Li J. Wang ZL, et al. Among authors: stoll h. Chemistry. 2020 Dec 1;26(67):15558-15564. doi: 10.1002/chem.202003920. Epub 2020 Nov 16. Chemistry. 2020. PMID: 32975862 Free PMC article.

2

Correspondence on "Core Electron Topologies in Chemical Compounds: Case Study of Carbon versus Silicon".

von Szentpály L, Schwarz WHE, Stoll H, Werner HJ. von Szentpály L, et al. Among authors: stoll h. Angew Chem Int Ed Engl. 2019 Jul 29;58(31):10404-10407. doi: 10.1002/anie.201812959. Epub 2019 Jul 9. Angew Chem Int Ed Engl. 2019. PMID: 31287191

3

Comment on "Going beyond the frozen core approximation: development of coordinate-dependent pseudopotentials and application to Na2(+)" [J. Chem. Phys. 138, 054110 (2013)].

Stoll H, Fuentealba P, von Szentpály L. Stoll H, et al. J Chem Phys. 2013 Oct 14;139(14):147101. doi: 10.1063/1.4823832. J Chem Phys. 2013. PMID: 24116652

4

Filling the Gap between Pseudopotential and All-Electron Schemes: Frozen-Core Calculations with Efficient Use of Density-Fitting.

Stoll H. Stoll H. J Chem Theory Comput. 2014 Sep 9;10(9):3857-62. doi: 10.1021/ct500581h. J Chem Theory Comput. 2014. PMID: 26588530

5

Ab initio calculations on bismuth cluster polycations.

Kuznetsov AN, Kloo L, Lindsjö M, Rosdahl J, Stoll H. Kuznetsov AN, et al. Among authors: stoll h. Chemistry. 2001 Jul 2;7(13):2821-8. doi: 10.1002/1521-3765(20010702)7:13<2821::aid-chem2821>3.0.co;2-y. Chemistry. 2001. PMID: 11486958

6

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

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

Toward a wavefunction-based treatment of strong electron correlation in extended systems by means of incremental methods.

Stoll H. Stoll H. J Chem Phys. 2019 Jul 28;151(4):044104. doi: 10.1063/1.5109860. J Chem Phys. 2019. PMID: 31370550

10

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

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