Kohout M - Search Results

1

Höhn P, Agrestini S, Baranov A, Hoffmann S, Kohout M, Nitsche F, Wagner FR, Kniep R. Höhn P, et al. Among authors: kohout m. Chemistry. 2011 Mar 14;17(12):3347-51. doi: 10.1002/chem.201002867. Epub 2011 Feb 15. Chemistry. 2011. PMID: 21328499 No abstract available.

2

Charge decomposition analysis of the electron localizability indicator: a bridge between the orbital and direct space representation of the chemical bond.

Wagner FR, Bezugly V, Kohout M, Grin Y. Wagner FR, et al. Among authors: kohout m. Chemistry. 2007;13(20):5724-41. doi: 10.1002/chem.200700013. Chemistry. 2007. PMID: 17458839

3

Direct space decomposition of ELI-D: interplay of charge density and pair-volume function for different bonding situations.

Wagner FR, Kohout M, Grin Y. Wagner FR, et al. Among authors: kohout m. J Phys Chem A. 2008 Oct 9;112(40):9814-28. doi: 10.1021/jp8022315. Epub 2008 Sep 17. J Phys Chem A. 2008. PMID: 18795765

4

Electron localizability for hexagonal element structures.

Baranov AI, Kohout M. Baranov AI, et al. Among authors: kohout m. J Comput Chem. 2008 Oct;29(13):2161-71. doi: 10.1002/jcc.20985. J Comput Chem. 2008. PMID: 18432614

5

Electron localization and delocalization indices for solids.

Baranov AI, Kohout M. Baranov AI, et al. Among authors: kohout m. J Comput Chem. 2011 Jul 30;32(10):2064-76. doi: 10.1002/jcc.21784. Epub 2011 Apr 29. J Comput Chem. 2011. PMID: 21538404

6

Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. I. Li2, Be2, B2, and C2.

Bezugly V, Wielgus P, Kohout M, Wagner FR. Bezugly V, et al. Among authors: kohout m. J Comput Chem. 2010 May;31(7):1504-19. doi: 10.1002/jcc.21437. J Comput Chem. 2010. PMID: 20020484

7

Electron localizability indicators ELI-D and ELIA for highly correlated wavefunctions of homonuclear dimers. II. N2, O2, F2, and Ne2.

Bezugly V, Wielgus P, Kohout M, Wagner FR. Bezugly V, et al. Among authors: kohout m. J Comput Chem. 2010 Sep;31(12):2273-85. doi: 10.1002/jcc.21519. J Comput Chem. 2010. PMID: 20340107

8

Electron localizability indicators ELI and ELIA: the case of highly correlated wavefunctions for the argon atom.

Bezugly V, Wielgus P, Wagner FR, Kohout M, Grin Y. Bezugly V, et al. Among authors: kohout m. J Comput Chem. 2008 Jun;29(8):1198-207. doi: 10.1002/jcc.20875. J Comput Chem. 2008. PMID: 18069661

9

Domain-averaged Fermi-hole analysis for solids.

Baranov AI, Ponec R, Kohout M. Baranov AI, et al. Among authors: kohout m. J Chem Phys. 2012 Dec 7;137(21):214109. doi: 10.1063/1.4768920. J Chem Phys. 2012. PMID: 23231219

10

Interacting Quantum Atoms Method for Crystalline Solids.

Menéndez Crespo D, Wagner FR, Francisco E, Martín Pendás Á, Grin Y, Kohout M. Menéndez Crespo D, et al. Among authors: kohout m. J Phys Chem A. 2021 Oct 14;125(40):9011-9025. doi: 10.1021/acs.jpca.1c06574. Epub 2021 Oct 1. J Phys Chem A. 2021. PMID: 34596415 Free PMC article.

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

139 results

Search Page

Filters