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

Results by year

Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2011 1
2012 1
2019 1
2024 0

Text availability

Article attribute

Article type

Publication date

Search Results

2 results

Results by year

Filters applied: . Clear all
Page 1
Investigating the electronic properties of silicon nanosheets by first-principles calculations.
Chigo Anota E, Bautista Hernández A, Castro M, Hernández Cocoletzi G. Chigo Anota E, et al. J Mol Model. 2012 May;18(5):2147-52. doi: 10.1007/s00894-011-1235-9. Epub 2011 Sep 25. J Mol Model. 2012. PMID: 21947417
Two configurations were explored: one corresponding to a defect-free layer (h-Si), and the other to a layer with defects (d-Si), both of which were in the armchair geometry. These sheets contained clusters of the C(n)H(m) type. We also investigated the effects of do …
Two configurations were explored: one corresponding to a defect-free layer (h-Si), and the other to a layer with defects (d-Si), both …
Studies of hydrogen sulfide and ammonia adsorption on P- and Si-doped graphene: density functional theory calculations.
Comparán Padilla VE, Romero de la Cruz MT, Ávila Alvarado YE, García Díaz R, Rodríguez García CE, Hernández Cocoletzi G. Comparán Padilla VE, et al. J Mol Model. 2019 Mar 11;25(4):94. doi: 10.1007/s00894-019-3974-y. J Mol Model. 2019. PMID: 30859395
Studies of hydrogen sulfide (H(2)S) and ammonia (NH(3)) adsorption on phosphorus (P) and silicon (Si) doped graphene are performed by ab initio calculations using the periodic density functional theory (DFT). ...
Studies of hydrogen sulfide (H(2)S) and ammonia (NH(3)) adsorption on phosphorus (P) and silicon (Si) doped graphene are performed by …