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Items: 1 to 20 of 117

1.

Describing curved-planar π-π interactions: modeled by corannulene, pyrene and coronene.

Li J, Liu Y, Qian Y, Li L, Xie L, Shang J, Yu T, Yi M, Huang W.

Phys Chem Chem Phys. 2013 Aug 14;15(30):12694-701. doi: 10.1039/c3cp51095f.

PMID:
23793112
2.

Buckyplates and buckybowls: examining the effects of curvature on π-π interactions.

Kennedy MR, Burns LA, Sherrill CD.

J Phys Chem A. 2012 Dec 6;116(48):11920-6. doi: 10.1021/jp305700k. Epub 2012 Nov 27.

PMID:
23137341
3.

On the aromatic stabilization of corannulene and coronene.

Dobrowolski MA, Ciesielski A, Cyrański MK.

Phys Chem Chem Phys. 2011 Dec 14;13(46):20557-63. doi: 10.1039/c1cp21994d. Epub 2011 Sep 15.

PMID:
21922090
4.

Ions interacting with planar aromatic molecules: modeling electron transfer reactions.

Forsberg BO, Alexander JD, Chen T, Pettersson AT, Gatchell M, Cederquist H, Zettergren H.

J Chem Phys. 2013 Feb 7;138(5):054306. doi: 10.1063/1.4790164.

PMID:
23406118
5.

Electron-phonon interactions and Jahn-Teller effects in the monocation of corannulene.

Kato T, Yamabe T.

J Phys Chem A. 2006 Mar 2;110(8):2785-95.

PMID:
16494390
6.

Computational study on C-H...π interactions of acetylene with benzene, 1,3,5-trifluorobenzene and coronene.

Dinadayalane TC, Paytakov G, Leszczynski J.

J Mol Model. 2013 Jul;19(7):2855-64. doi: 10.1007/s00894-012-1729-0. Epub 2012 Dec 18.

PMID:
23247410
7.

Free-electron attachment to coronene and corannulene in the gas phase.

Denifl S, Ptasińska S, Sonnweber B, Scheier P, Liu D, Hagelberg F, Mack J, Scott LT, Märk TD.

J Chem Phys. 2005 Sep 8;123(10):104308.

PMID:
16178598
8.

Noncovalent interactions in supramolecular complexes: a study on corannulene and the double concave buckycatcher.

Wong BM.

J Comput Chem. 2009 Jan 15;30(1):51-6. doi: 10.1002/jcc.21022.

PMID:
18504779
10.

Dissociation and multiple ionization energies for five polycyclic aromatic hydrocarbon molecules.

Holm AI, Johansson HA, Cederquist H, Zettergren H.

J Chem Phys. 2011 Jan 28;134(4):044301. doi: 10.1063/1.3541252.

PMID:
21280719
11.

Computational study of the effect of dispersion interactions on the thermochemistry of aggregation of fused polycyclic aromatic hydrocarbons as model asphaltene compounds in solution.

Moreira da Costa L, Stoyanov SR, Gusarov S, Seidl PR, Walkimar de M Carneiro J, Kovalenko A.

J Phys Chem A. 2014 Feb 6;118(5):896-908. doi: 10.1021/jp408005h. Epub 2014 Jan 24.

PMID:
24432843
12.

Raman and ROA spectra of (-)- and (+)-2-Br-hexahelicene: experimental and DFT studies of a π-conjugated chiral system.

Johannessen C, Blanch EW, Villani C, Abbate S, Longhi G, Agarwal NR, Tommasini M, Lightner DA.

J Phys Chem B. 2013 Feb 21;117(7):2221-30. doi: 10.1021/jp312425m. Epub 2013 Feb 7.

PMID:
23343455
13.

FTIR, FT-RAMAN, NMR, spectra, normal co-ordinate analysis, NBO, NLO and DFT calculation of N,N-diethyl-4-methylpiperazine-1-carboxamide molecule.

Muthu S, Elamurugu Porchelvi E.

Spectrochim Acta A Mol Biomol Spectrosc. 2013 Nov;115:275-86. doi: 10.1016/j.saa.2013.06.011. Epub 2013 Jun 20.

PMID:
23845985
14.

High-resolution electron spectroscopy, preferential metal-binding sites, and thermochemistry of lithium complexes of polycyclic aromatic hydrocarbons.

Lee JS, Krasnokutski SA, Yang DS.

J Chem Phys. 2011 Jan 14;134(2):024301. doi: 10.1063/1.3523346.

PMID:
21241093
15.

DFT and MP2 study of the interaction between corannulene and alkali cations.

Rellán-Piñeiro M, Rodríguez-Otero J, Cabaleiro-Lago EM, Josa D.

J Mol Model. 2013 May;19(5):2049-55. doi: 10.1007/s00894-012-1632-8. Epub 2012 Oct 21.

PMID:
23086463
16.

Evaluation of the aromaticity of non-planar and bowl-shaped molecules by NICS criterion.

Reisi-Vanani A, Rezaei AA.

J Mol Graph Model. 2015 Sep;61:85-8. doi: 10.1016/j.jmgm.2015.05.015. Epub 2015 Jun 27.

PMID:
26188797
17.

Corannulene-fused anion-responsive π-conjugated molecules that form self-assemblies with unique electronic properties.

Bando Y, Sakurai T, Seki S, Maeda H.

Chem Asian J. 2013 Sep;8(9):2088-95. doi: 10.1002/asia.201300635. Epub 2013 Jun 28.

PMID:
23813866
18.

DFT study of structure and binding energies of Fe-corannulene complex.

Kandalam AK, Rao BK, Jena P.

J Phys Chem A. 2005 Oct 20;109(41):9220-5.

PMID:
16833261
19.

Interaction between ions and substituted buckybowls: a comprehensive computational study.

Campo-Cacharrón A, Cabaleiro-Lago EM, Rodríguez-Otero J.

J Comput Chem. 2014 Aug 5;35(21):1533-44. doi: 10.1002/jcc.23644. Epub 2014 May 28.

PMID:
24866479
20.

A DFT study of substituent effects in corannulene dimers.

Josa D, Rodríguez Otero J, Cabaleiro Lago EM.

Phys Chem Chem Phys. 2011 Dec 21;13(47):21139-45. doi: 10.1039/c1cp23021b. Epub 2011 Oct 24.

PMID:
22025308

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