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

15 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Results By Year timeline is not available.
Page 1
A theoretical study of the optical properties of nanostructured TiO2.
Fuertes VC, Negre CF, Oviedo MB, Bonafé FP, Oliva FY, Sánchez CG. Fuertes VC, et al. Among authors: bonafe fp. J Phys Condens Matter. 2013 Mar 20;25(11):115304. doi: 10.1088/0953-8984/25/11/115304. Epub 2013 Feb 14. J Phys Condens Matter. 2013. PMID: 23406993
Optical properties of graphene nanoflakes: Shape matters.
Mansilla Wettstein C, Bonafé FP, Oviedo MB, Sánchez CG. Mansilla Wettstein C, et al. Among authors: bonafe fp. J Chem Phys. 2016 Jun 14;144(22):224305. doi: 10.1063/1.4953172. J Chem Phys. 2016. PMID: 27306005
Simulation of Impulsive Vibrational Spectroscopy.
Hernández FJ, Bonafé FP, Aradi B, Frauenheim T, Sánchez CG. Hernández FJ, et al. Among authors: bonafe fp. J Phys Chem A. 2019 Mar 14;123(10):2065-2072. doi: 10.1021/acs.jpca.9b00307. Epub 2019 Feb 28. J Phys Chem A. 2019. PMID: 30767532
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.
Hourahine B, Aradi B, Blum V, Bonafé F, Buccheri A, Camacho C, Cevallos C, Deshaye MY, Dumitrică T, Dominguez A, Ehlert S, Elstner M, van der Heide T, Hermann J, Irle S, Kranz JJ, Köhler C, Kowalczyk T, Kubař T, Lee IS, Lutsker V, Maurer RJ, Min SK, Mitchell I, Negre C, Niehaus TA, Niklasson AMN, Page AJ, Pecchia A, Penazzi G, Persson MP, Řezáč J, Sánchez CG, Sternberg M, Stöhr M, Stuckenberg F, Tkatchenko A, Yu VW, Frauenheim T. Hourahine B, et al. J Chem Phys. 2020 Mar 31;152(12):124101. doi: 10.1063/1.5143190. J Chem Phys. 2020. PMID: 32241125 Free article.
Erratum: "DFTB+, a software package for efficient approximate density functional theory based atomistic simulations" [J. Chem. Phys. 152, 124101 (2020)].
Hourahine B, Aradi B, Blum V, Bonafé F, Buccheri A, Camacho C, Cevallos C, Deshaye MY, Dumitrică T, Dominguez A, Ehlert S, Elstner M, van der Heide T, Hermann J, Irle S, Jakowski J, Kranz JJ, Köhler C, Kowalczyk T, Kubař T, Lee IS, Lutsker V, Maurer RJ, Min SK, Mitchell I, Negre C, Niehaus TA, Niklasson AMN, Page AJ, Pecchia A, Penazzi G, Persson MP, Řezáč J, Sánchez CG, Sternberg M, Stöhr M, Stuckenberg F, Tkatchenko A, Yu VW, Frauenheim T. Hourahine B, et al. J Chem Phys. 2022 Jul 21;157(3):039901. doi: 10.1063/5.0103026. J Chem Phys. 2022. PMID: 35868926 No abstract available.
15 results