134 related articles for article (PubMed ID: 34312786)
1. Amphetamine Drug Detection with Inorganic MgO Nanotube Based on the DFT Calculations.
Li X; Jiao X; Li H; Derakhshandeh M
Appl Biochem Biotechnol; 2021 Nov; 193(11):3528-3539. PubMed ID: 34312786
[TBL] [Abstract][Full Text] [Related]
2. Magnesium oxide nanotube as a promising material for detection of methamphetamine drug: theoretical study.
Xu X; Wang W; Lu L; Zhang J; Luo J
J Mol Model; 2022 May; 28(6):150. PubMed ID: 35562620
[TBL] [Abstract][Full Text] [Related]
3. Quantum chemical study the on interaction between sulfanilamide drug and MgO nanocluster.
Sang X; Derakhshandeh M
J Mol Model; 2021 Sep; 27(10):283. PubMed ID: 34515848
[TBL] [Abstract][Full Text] [Related]
4. Yttrium- and zirconium-decorated Mg
Gber TE; Louis H; Ngana OC; Amodu IO; Ekereke EE; Benjamin I; Adalikwu SA; Adeyinka A
RSC Adv; 2023 Aug; 13(36):25391-25407. PubMed ID: 37636506
[TBL] [Abstract][Full Text] [Related]
5. Theoretical study of glycoluril by highly symmetrical magnesium oxide Mg
Al-Otaibi JS; Mary YS; Mary YS; Acharjee N; Churchill DG
J Mol Model; 2022 Sep; 28(10):332. PubMed ID: 36163521
[TBL] [Abstract][Full Text] [Related]
6. Conformational stability, spectroscopic and computational studies, hikes' occupied molecular orbital, lowest unoccupied molecular orbital, natural bond orbital analysis and thermodynamic parameters of anticancer drug on nanotube-A review.
Ghasemi AS; Mashhadban F; Hoseini-Alfatemi SM; Sharifi-Rad J
Cell Mol Biol (Noisy-le-grand); 2015 Dec; 61(8):74-8. PubMed ID: 26718433
[TBL] [Abstract][Full Text] [Related]
7. A first-principles study of ultrathin nanofilms of MgO-supported TiN.
Zhang RQ; Kim CE; Delley B; Stampfl C; Soon A
Phys Chem Chem Phys; 2012 Feb; 14(7):2462-7. PubMed ID: 22249386
[TBL] [Abstract][Full Text] [Related]
8. Electronic properties of functionalized (5,5) beryllium oxide nanotubes.
Chigo Anota E; Cocoletzi GH
J Mol Graph Model; 2013 May; 42():115-9. PubMed ID: 23631870
[TBL] [Abstract][Full Text] [Related]
9. Fabrication of gold nanotubes from removable MgO nanowires templates.
Kim HW; Lee JW; Kebede MA; Kim HS; Srinivasa B; Kong MH; Lee C
J Nanosci Nanotechnol; 2008 Nov; 8(11):5715-9. PubMed ID: 19198294
[TBL] [Abstract][Full Text] [Related]
10. Identification of amphetamine as a stimulant drug by pristine and doped C
Alipour E; Maleki S; Razavipour N; Hajali N; Jahani S
J Mol Model; 2021 May; 27(6):169. PubMed ID: 33991237
[TBL] [Abstract][Full Text] [Related]
11. Density functional theory for comprehensive orbital energy calculations.
Nakata A; Tsuneda T
J Chem Phys; 2013 Aug; 139(6):064102. PubMed ID: 23947838
[TBL] [Abstract][Full Text] [Related]
12. The electronic structure of MgO nanotubes. An ab initio quantum mechanical investigation.
El-Kelany KE; Ferrabone M; Rérat M; Carbonnière P; Zicovich-Wilson CM; Dovesi R
Phys Chem Chem Phys; 2013 Aug; 15(32):13296-303. PubMed ID: 23657356
[TBL] [Abstract][Full Text] [Related]
13. The computational quantum mechanical study of sulfamide drug adsorption onto X
Padash R; Esfahani MR; Rad AS
J Biomol Struct Dyn; 2021 Sep; 39(15):5427-5437. PubMed ID: 32662325
[TBL] [Abstract][Full Text] [Related]
14. Theoretical Sensing Performance for Detection of Cyclophosphamide Drug by Using Aluminum Carbide (C
Kadhim MM; Rheima AM; Hachim SK; Abdullaha SAH; Taban TZ; Malik SA
Appl Biochem Biotechnol; 2023 Jul; 195(7):4164-4176. PubMed ID: 36656537
[TBL] [Abstract][Full Text] [Related]
15. Borophene as an electronic sensor for metronidazole drug: A computational study.
Xiao C; Ma K; Cai G; Zhang X; Vessally E
J Mol Graph Model; 2020 May; 96():107539. PubMed ID: 31982814
[TBL] [Abstract][Full Text] [Related]
16. Extent of Spin Contamination Errors in DFT/Plane-wave Calculation of Surfaces: A Case of Au Atom Aggregation on a MgO Surface.
Tada K; Maruyama T; Koga H; Okumura M; Tanaka S
Molecules; 2019 Jan; 24(3):. PubMed ID: 30704148
[TBL] [Abstract][Full Text] [Related]
17. CuO-decorated ZnO nanotube-based sensor for detecting CO gas: a first-principles study.
Tohidi S; Tohidi T; Mohammadabad PH
J Mol Model; 2021 Sep; 27(10):279. PubMed ID: 34491435
[TBL] [Abstract][Full Text] [Related]
18. Modulation of the electronic structure of semiconducting nanotubes resulting from different metal contacts.
Tarakeshwar P; Kim DM
J Phys Chem B; 2005 Apr; 109(16):7601-4. PubMed ID: 16851878
[TBL] [Abstract][Full Text] [Related]
19. Evaluating frontier orbital energy and HOMO/LUMO gap with descriptors from density functional reactivity theory.
Huang Y; Rong C; Zhang R; Liu S
J Mol Model; 2017 Jan; 23(1):3. PubMed ID: 27933419
[TBL] [Abstract][Full Text] [Related]
20. Comparison of DFT methods for molecular orbital eigenvalue calculations.
Zhang G; Musgrave CB
J Phys Chem A; 2007 Mar; 111(8):1554-61. PubMed ID: 17279730
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
