Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

Filters

My NCBI Filters

Text availability

Article attribute

Article type

Publication date

Search Results

43 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
Extracting information about chemical bonding from molecular electron densities via single exponential decay detector (SEDD).
de Silva P, Korchowiec J, Nirmal RJ, Wesolowski TA. de Silva P, et al. Among authors: korchowiec j. Chimia (Aarau). 2013;67(4):253-6. doi: 10.2533/chimia.2013.253. Chimia (Aarau). 2013. PMID: 23967700 Free article.
The recently introduced molecular descriptor (Single Exponential Decay Detector - SEDD) [P. de Silva, J. Korchowiec, T. A. Wesolowski, ChemPhysChem 2012, 13, 3462] is used to visualize bonding patterns in molecules. ...
The recently introduced molecular descriptor (Single Exponential Decay Detector - SEDD) [P. de Silva, J. Korchowiec, T. A. Wes …
Atomic shell structure from the Single-Exponential Decay Detector.
de Silva P, Korchowiec J, Wesolowski TA. de Silva P, et al. Among authors: korchowiec j. J Chem Phys. 2014 Apr 28;140(16):164301. doi: 10.1063/1.4871501. J Chem Phys. 2014. PMID: 24784264
Nevertheless, it has been shown that SEDD can serve as a descriptor of bonding patterns in molecules as well as an indicator of atomic shells [P. de Silva, J. Korchowiec, and T. A. Wesolowski, ChemPhysChem 13, 3462 (2012)]. ...
Nevertheless, it has been shown that SEDD can serve as a descriptor of bonding patterns in molecules as well as an indicator of atomic shell …
Energy partitioning scheme based on self-consistent method for subsystems: populational space approach.
De Silva P, Korchowiec J. De Silva P, et al. Among authors: korchowiec j. J Comput Chem. 2011 Apr 30;32(6):1054-64. doi: 10.1002/jcc.21685. Epub 2010 Nov 10. J Comput Chem. 2011. PMID: 21387333
The refinement of the previously proposed energy partitioning scheme, self-consistent charge and configuration method for subsystems (Korchowiec and Uchimaru, J Chem Phys 2000, 112, 1623), is proposed. ...
The refinement of the previously proposed energy partitioning scheme, self-consistent charge and configuration method for subsystems (Kor …
43 results