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

23 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
QM/MM calculations with deMon2k.
Salahub DR, Noskov SY, Lev B, Zhang R, Ngo V, Goursot A, Calaminici P, Köster AM, Alvarez-Ibarra A, Mejía-Rodríguez D, Řezáč J, Cailliez F, de la Lande A. Salahub DR, et al. Among authors: cailliez f. Molecules. 2015 Mar 16;20(3):4780-812. doi: 10.3390/molecules20034780. Molecules. 2015. PMID: 25786164 Free PMC article. Review.
Quantum effects in ultrafast electron transfers within cryptochromes.
Firmino T, Mangaud E, Cailliez F, Devolder A, Mendive-Tapia D, Gatti F, Meier C, Desouter-Lecomte M, de la Lande A. Firmino T, et al. Among authors: cailliez f. Phys Chem Chem Phys. 2016 Aug 21;18(31):21442-57. doi: 10.1039/c6cp02809h. Epub 2016 Jul 18. Phys Chem Chem Phys. 2016. PMID: 27427185 Free article.
Simulating Electron Dynamics in Polarizable Environments.
Wu X, Teuler JM, Cailliez F, Clavaguéra C, Salahub DR, de la Lande A. Wu X, et al. Among authors: cailliez f. J Chem Theory Comput. 2017 Sep 12;13(9):3985-4002. doi: 10.1021/acs.jctc.7b00251. Epub 2017 Aug 17. J Chem Theory Comput. 2017. PMID: 28738144
Molecular Simulations with in-deMon2k QM/MM, a Tutorial-Review.
de la Lande A, Alvarez-Ibarra A, Hasnaoui K, Cailliez F, Wu X, Mineva T, Cuny J, Calaminici P, López-Sosa L, Geudtner G, Navizet I, Garcia Iriepa C, Salahub DR, Köster AM. de la Lande A, et al. Among authors: cailliez f. Molecules. 2019 Apr 26;24(9):1653. doi: 10.3390/molecules24091653. Molecules. 2019. PMID: 31035516 Free PMC article. Review.
23 results