These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
189 related articles for article (PubMed ID: 37099146)
1. Adsorption of lanthanide double-decker phthalocyanines on single-walled carbon nanotubes: structural changes and electronic properties as studied by density functional theory. Bolívar-Pineda LM; Mendoza-Domínguez CU; Basiuk VA J Mol Model; 2023 Apr; 29(5):158. PubMed ID: 37099146 [TBL] [Abstract][Full Text] [Related]
2. DFT studies on armchair (5, 5) SWCNT functionalization. Modification of selected structural and spectroscopic parameters upon two-atom molecule attachment. Jankowska M; Kupka T; Stobiński L; Kaminský J J Mol Graph Model; 2015 Feb; 55():105-14. PubMed ID: 25437097 [TBL] [Abstract][Full Text] [Related]
3. Investigating the optical properties and electronic structure of gallium phosphide nanotubes doped with arsenic via implementing first-principles calculations. Nawaf S; Rzaij JM; Al-Jobory AA; Motlak M J Mol Model; 2024 Jul; 30(8):243. PubMed ID: 38955842 [TBL] [Abstract][Full Text] [Related]
4. Noncovalent functionalization of carbon nanotubes with porphyrins: meso-tetraphenylporphine and its transition metal complexes. Basiuk EV; Basiuk VA; Santiago P; Puente-Lee I J Nanosci Nanotechnol; 2007; 7(4-5):1530-8. PubMed ID: 17450922 [TBL] [Abstract][Full Text] [Related]
5. Density functional calculations of nickel, palladium and cadmium adsorption onto (10,0) single-walled carbon nanotube. Aghashiri A; Fotooh FK; Hashemian S J Mol Model; 2019 Jun; 25(7):185. PubMed ID: 31183580 [TBL] [Abstract][Full Text] [Related]
6. Photoluminescence spectrum using DFT for double-walled carbon nanotubes with metallic constituents. Victoria APR; de la Luz ADH; Juárez JM; Espinosa-Torres ND; Robles-Águila MJ; López JAL; Juárez-Díaz G J Mol Model; 2019 Aug; 25(9):273. PubMed ID: 31451950 [TBL] [Abstract][Full Text] [Related]
7. N-doped direction-dependent electronic and mechanical properties of single-walled carbon nanotube (SWCNT) from a first-principles density functional theory (DFT) and MD-simulation. Singh YT; Patra PK; Obodo KO; Saad H-E MM; Rai DP J Mol Graph Model; 2022 Mar; 111():108111. PubMed ID: 34953321 [TBL] [Abstract][Full Text] [Related]
8. Electronic properties and gas adsorption behaviour of pristine, silicon-, and boron-doped (8, 0) single-walled carbon nanotube: A first principles study. Azam MA; Alias FM; Tack LW; Seman RNAR; Taib MFM J Mol Graph Model; 2017 Aug; 75():85-93. PubMed ID: 28531817 [TBL] [Abstract][Full Text] [Related]
9. DFT study of zigzag (n, 0) single-walled carbon nanotubes: (13)C NMR chemical shifts. Kupka T; Stachów M; Stobiński L; Kaminský J J Mol Graph Model; 2016 Jun; 67():14-9. PubMed ID: 27155813 [TBL] [Abstract][Full Text] [Related]
10. A density functional theory-based analysis of the structural, topological and electronic properties of gemcitabine drug adsorption on the pyrrolidine functionalized single-walled carbon nanotube. Moradnia H; Raissi H; Bakhtiari A J Biomol Struct Dyn; 2019 Jul; 37(10):2477-2486. PubMed ID: 30035661 [TBL] [Abstract][Full Text] [Related]
11. A dispersion-corrected density functional theory study of the noncovalent interactions between nucleobases and carbon nanotube models containing stone-wales defects. Contreras-Torres FF; Basiuk EV; Basiuk VA J Comput Chem; 2020 Mar; 41(8):780-789. PubMed ID: 31837037 [TBL] [Abstract][Full Text] [Related]
12. Encapsulation efficiency of single-walled carbon nanotube for Ifosfamide anti-cancer drug. Yoosefian M; Sabaei S; Etminan N Comput Biol Med; 2019 Nov; 114():103433. PubMed ID: 31514075 [TBL] [Abstract][Full Text] [Related]
13. Reactive sites for chiral selective growth of single-walled carbon nanotubes: a DFT study of Ni55-C(n) complexes. Wang Q; Wang H; Wei L; Yang SW; Chen Y J Phys Chem A; 2012 Nov; 116(47):11709-17. PubMed ID: 23110420 [TBL] [Abstract][Full Text] [Related]
14. Dynamics of local chirality during SWCNT growth: armchair versus zigzag nanotubes. Kim J; Page AJ; Irle S; Morokuma K J Am Chem Soc; 2012 Jun; 134(22):9311-9. PubMed ID: 22571240 [TBL] [Abstract][Full Text] [Related]
15. Spin transport properties of 3d transition metal(II) phthalocyanines in contact with single-walled carbon nanotube electrodes. Shen X; Sun L; Yi Z; Benassi E; Zhang R; Shen Z; Sanvito S; Hou S Phys Chem Chem Phys; 2010 Sep; 12(36):10805-11. PubMed ID: 20657905 [TBL] [Abstract][Full Text] [Related]
16. First-principles calculations of nickel, cadmium, and lead adsorption on a single-walled (10,0) carbon nanotube. Bastos M; Camps I J Mol Model; 2014 Feb; 20(2):2094. PubMed ID: 24515718 [TBL] [Abstract][Full Text] [Related]
17. Interaction of a Ni(II) tetraazaannulene complex with elongated fullerenes as simple models for carbon nanotubes. Henao-Holguín LV; Basiuk VA J Mol Model; 2015 Jun; 21(6):146. PubMed ID: 25986775 [TBL] [Abstract][Full Text] [Related]
18. First-principles calculation on the conductance of a single 1,4-diisocyanatobenzene molecule with single-walled carbon nanotubes as the electrodes. Qian Z; Hou S; Ning J; Li R; Shen Z; Zhao X; Xue Z J Chem Phys; 2007 Feb; 126(8):084705. PubMed ID: 17343467 [TBL] [Abstract][Full Text] [Related]
19. Formation of single-walled carbon nanotube via the interaction of graphene nanoribbons: ab initio density functional calculations. Du AJ; Smith SC; Lu GQ Nano Lett; 2007 Nov; 7(11):3349-54. PubMed ID: 17927259 [TBL] [Abstract][Full Text] [Related]