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 Custom Filters

Publication date

Text availability

Article attribute

Article type

Additional filters

Article Language

Species

Sex

Age

Other

Search Results

41 results

Filters applied: . Clear all
Results are displayed in a computed author sort order. The Publication Date timeline is not available.
Page 1
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. Among authors: dumitrica t. J Chem Phys. 2022 Jul 21;157(3):039901. doi: 10.1063/5.0103026. J Chem Phys. 2022. PMID: 35868926 No abstract available.
Formation of Helices in Graphene Nanoribbons under Torsion.
Nikiforov I, Hourahine B, Frauenheim T, Dumitrică T. Nikiforov I, et al. Among authors: dumitrica t. J Phys Chem Lett. 2014 Dec 4;5(23):4083-7. doi: 10.1021/jz501837r. Epub 2014 Nov 14. J Phys Chem Lett. 2014. PMID: 26278936 Free article.
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. Among authors: dumitrica t. J Chem Phys. 2020 Mar 31;152(12):124101. doi: 10.1063/1.5143190. J Chem Phys. 2020. PMID: 32241125 Free article.
Ultralow Thermal Conductivity in Two-Dimensional MoO3.
Tong Z, Dumitrică T, Frauenheim T. Tong Z, et al. Among authors: dumitrica t. Nano Lett. 2021 May 26;21(10):4351-4356. doi: 10.1021/acs.nanolett.1c00935. Epub 2021 May 12. Nano Lett. 2021. PMID: 33979160
Anisotropic Phononic and Electronic Thermal Transport in BeN4.
Tong Z, Pecchia A, Yam C, Zhou L, Dumitrică T, Frauenheim T. Tong Z, et al. Among authors: dumitrica t. J Phys Chem Lett. 2022 May 26;13(20):4501-4505. doi: 10.1021/acs.jpclett.2c01104. Epub 2022 May 16. J Phys Chem Lett. 2022. PMID: 35575731
41 results