179 related articles for article (PubMed ID: 28249196)
1. A DFT study on the central-ring doped HBC nanographenes.
Hosseinian A; Bekhradnia A; Vessally E; Edjlali L; Esrafili MD
J Mol Graph Model; 2017 May; 73():101-107. PubMed ID: 28249196
[TBL] [Abstract][Full Text] [Related]
2. Heteroatom-Doped Nanographenes with Structural Precision.
Wang XY; Yao X; Narita A; Müllen K
Acc Chem Res; 2019 Sep; 52(9):2491-2505. PubMed ID: 31478641
[TBL] [Abstract][Full Text] [Related]
3. Correlated Electronic Properties of a Graphene Nanoflake: Coronene.
Prodhan S; Mazumdar S; Ramasesha S
Molecules; 2019 Feb; 24(4):. PubMed ID: 30781643
[TBL] [Abstract][Full Text] [Related]
4. DFT study on the chemical sensing properties of B
Rostami Z; Pashangpour M; Moradi R
J Mol Graph Model; 2017 Mar; 72():129-135. PubMed ID: 28092831
[TBL] [Abstract][Full Text] [Related]
5. Exploring the potential of boron-doped nanographene as efficient charge transport and nonlinear optical material: A first-principles study.
Irfan A; Chaudhry AR; Muhammad S; Al-Sehemi AG
J Mol Graph Model; 2017 Aug; 75():209-219. PubMed ID: 28586703
[TBL] [Abstract][Full Text] [Related]
6. Spin-spin and spin-orbit interactions in nanographene fragments: a quantum chemistry approach.
Perumal S; Minaev B; Ågren H
J Chem Phys; 2012 Mar; 136(10):104702. PubMed ID: 22423853
[TBL] [Abstract][Full Text] [Related]
7. Electronic absorption, vibrational spectra, nonlinear optical properties, NBO analysis and thermodynamic properties of N-(4-nitro-2-phenoxyphenyl) methanesulfonamide molecule by ab initio HF and density functional methods.
Rajamani T; Muthu S; Karabacak M
Spectrochim Acta A Mol Biomol Spectrosc; 2013 May; 108():186-96. PubMed ID: 23474478
[TBL] [Abstract][Full Text] [Related]
8. Structures, molecular orbitals and UV-vis spectra investigations on Br2C6H4: a computational study.
Wang TH; Hsu CS; Huang WL; Lo YH
Spectrochim Acta A Mol Biomol Spectrosc; 2013 Nov; 115():866-75. PubMed ID: 23892349
[TBL] [Abstract][Full Text] [Related]
9. Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite.
Totton TS; Misquitta AJ; Kraft M
J Phys Chem A; 2011 Nov; 115(46):13684-93. PubMed ID: 21967093
[TBL] [Abstract][Full Text] [Related]
10. Vibrational spectra, electronic absorption, nonlinear optical properties, evaluation of bonding, chemical reactivity and thermodynamic properties of ethyl 4-(1-(2-(hydrazinecarbonothioyl)hydrazono)ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate molecule by ab initio HF and density functional methods.
Singh RN; Rawat P; Sahu S
Spectrochim Acta A Mol Biomol Spectrosc; 2015 Jan; 135():1162-8. PubMed ID: 25168004
[TBL] [Abstract][Full Text] [Related]
11. The H2 dissociation on the BN, AlN, BP and AlP nanotubes: a comparative study.
Beheshtian J; Soleymanabadi H; Kamfiroozi M; Ahmadi A
J Mol Model; 2012 Jun; 18(6):2343-8. PubMed ID: 21979405
[TBL] [Abstract][Full Text] [Related]
12. Boron fullerenes, B
Chopra S
J Mol Graph Model; 2018 Sep; 84():90-95. PubMed ID: 29940505
[TBL] [Abstract][Full Text] [Related]
13. Predictions of Gibbs free energies for the adsorption of polyaromatic and nitroaromatic environmental contaminants on carbonaceous materials: efficient computational approach.
Scott AM; Gorb L; Mobley EA; Hill FC; Leszczynski J
Langmuir; 2012 Sep; 28(37):13307-17. PubMed ID: 22909085
[TBL] [Abstract][Full Text] [Related]
14. Azepine- or Oxepine-embedded Double Saddle-Helix Nanographenes.
Li R; Ma B; He RY; Zhang B; Zhang YK; Feng SY; An P
Chem Asian J; 2022 Jan; 17(2):e202101365. PubMed ID: 34904381
[TBL] [Abstract][Full Text] [Related]
15. Study of conformational stability, structural, electronic and charge transfer properties of cladrin using vibrational spectroscopy and DFT calculations.
Singh S; Singh H; Srivastava A; Tandon P; Sinha K; Bharti P; Kumar S; Kumar P; Maurya R
Spectrochim Acta A Mol Biomol Spectrosc; 2014 Nov; 132():615-28. PubMed ID: 24892542
[TBL] [Abstract][Full Text] [Related]
16. Interactions in large, polyaromatic hydrocarbon dimers: application of density functional theory with dispersion corrections.
Mackie ID; DiLabio GA
J Phys Chem A; 2008 Oct; 112(43):10968-76. PubMed ID: 18828578
[TBL] [Abstract][Full Text] [Related]
17. Photophysics of nanographenes: from polycyclic aromatic hydrocarbons to graphene nanoribbons.
Drummer MC; Singh V; Gupta N; Gesiorski JL; Weerasooriya RB; Glusac KD
Photosynth Res; 2022 Feb; 151(2):163-184. PubMed ID: 33963981
[TBL] [Abstract][Full Text] [Related]
18. Dimerization of polycyclic aromatic hydrocarbons in soot nucleation.
Zhang HB; You X; Wang H; Law CK
J Phys Chem A; 2014 Feb; 118(8):1287-92. PubMed ID: 24491159
[TBL] [Abstract][Full Text] [Related]
19. Free-standing graphene at atomic resolution.
Gass MH; Bangert U; Bleloch AL; Wang P; Nair RR; Geim AK
Nat Nanotechnol; 2008 Nov; 3(11):676-81. PubMed ID: 18989334
[TBL] [Abstract][Full Text] [Related]
20. The first bowl-shaped stable neutral radical with a corannulene system: synthesis and characterization of the electronic structure.
Morita Y; Nishida S; Kobayashi T; Fukui K; Sato K; Shiomi D; Takui T; Nakasuji K
Org Lett; 2004 Apr; 6(9):1397-400. PubMed ID: 15101751
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
