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ResearcherID: C-2634-2008
URL: http://www.researcherid.com/rid/C-2634-2008
Subject: Physics
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Publications

My Publications (30)

 
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publication(s)
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1. 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
added
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
added
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
added
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
added
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
added
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
added
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
added
29-Sep-08
8. Title: Optical transitions in metallic single-walled carbon nanotubes
Author(s): BARONE, V; PERALTA, JE; SCUSERIA, GE
Source: NANO LETTERS Volume: 5 Issue: 9 Pages: 1830-1833 Published: SEP 2005
Times Cited: 35
DOI: 10.1021/nl0509733
added
29-Sep-08
9. 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
added
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
added
29-Sep-08
publication(s)
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