Title: Electronic structure and stability of semiconducting graphene nanoribbons Author(s): BARONE, V; HOD, O; SCUSERIA, GE Source: NANO LETTERS Volume: 6 Issue: 12 Pages: 2748-2754 Published: DEC 13 2006 Times Cited: 120 DOI: 10.1021/nl0617033
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06-Nov-08
2.
Title: DFT calculation of NMR J(FF) spin-spin coupling constants in fluorinated pyridines Author(s): BARONE, V; PERALTA, JE; CONTRERAS, RH; et al. Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 106 Issue: 23 Pages: 5607-5612 Published: JUN 13 2002 Times Cited: 83 DOI: 10.1021/jp020212d
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06-Nov-08
3.
Title: Enhanced half-metallicity in edge-oxidized zigzag graphene nanoribbons Author(s): HOD, O; BARONE, V; PERALTA, JE; et al. Source: NANO LETTERS Volume: 7 Issue: 8 Pages: 2295-2299 Published: AUG 2007 Times Cited: 61 DOI: 10.1021/nl0708922
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29-Sep-08
4.
Title: Through-bond and through-space J(FF) spin-spin coupling in peridifluoronaphthalenes: Accurate DFT evaluation of the four contributions Author(s): PERALTA, JE; BARONE, V; CONTRERAS, RH; et al. Source: JOURNAL OF THE AMERICAN CHEMICAL SOCIETY Volume: 123 Issue: 37 Pages: 9162-9163 Published: SEP 19 2001 Times Cited: 40
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29-Sep-08
5.
Title: Density functional theory study of optical transitions in semiconducting single-walled carbon nanotubes Author(s): BARONE, V; PERALTA, JE; WERT, M; et al. Source: NANO LETTERS Volume: 5 Issue: 8 Pages: 1621-1624 Published: AUG 2005 Times Cited: 39 DOI: 10.1021/nl0506352
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29-Sep-08
6.
Title: Half-metallic graphene nanodots: A comprehensive first-principles theoretical study Author(s): HOD, O; BARONE, V; SCUSERIA, GE Source: PHYSICAL REVIEW B Volume: 77 Issue: 3 Pages: - Published: JAN 2008 Times Cited: 38 DOI: 10.1103/PhysRevB.77.035411
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29-Sep-08
7.
Title: Natural J coupling (NJC) analysis of the electron lone pair effect on NMR couplings: Part 1. The lone pair orientation effect of an alpha-nitrogen atom on (1)J(C,C) couplings Author(s): BARONE, V; PERALTA, JE; CONTRERAS, RH; et al. Source: MAGNETIC RESONANCE IN CHEMISTRY Volume: 39 Issue: 10 Pages: 600-606 Published: OCT 2001 Times Cited: 36
Title: Finite perturbation theory-density functional theory calculation of the spin-dipolar contribution to NMR spin-spin coupling constants Author(s): PERALTA, JE; BARONE, V; DE AZUA, MCR; et al. Source: MOLECULAR PHYSICS Volume: 99 Issue: 8 Pages: 655-661 Published: APR 2001 Times Cited: 30
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29-Sep-08
10.
Title: Substituent effects on scalar (2)J(F-19,F-19) and (3)J(F-19,F-19) NMR couplings: A comparison of SOPPA and DFT methods Author(s): BARONE, V; PROVASI, PF; PERALTA, JE; et al. Source: JOURNAL OF PHYSICAL CHEMISTRY A Volume: 107 Issue: 23 Pages: 4748-4754 Published: JUN 12 2003 Times Cited: 22 DOI: 10.1021/jp0300851
