Finite-Length Models of Carbon Nanotubes Based on Clar Sextet Theory

M. Baldoni; A. Sgamellotti; F. Mercuri

doi:10.1021/ol7018289

Finite-Length Models of Carbon Nanotubes Based on Clar Sextet Theory

Organic Letters ◽

10.1021/ol7018289 ◽

2007 ◽

Vol 9 (21) ◽

pp. 4267-4270 ◽

Cited By ~ 48

Author(s):

M. Baldoni ◽

A. Sgamellotti ◽

F. Mercuri

Keyword(s):

Carbon Nanotubes ◽

Finite Length ◽

Clar Sextet

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Unraveling the Reactivity of Semiconducting Chiral Carbon Nanotubes through Finite-Length Models Based on Clar Sextet Theory

The Journal of Physical Chemistry C ◽

10.1021/jp808517b ◽

2008 ◽

Vol 113 (3) ◽

pp. 862-866 ◽

Cited By ~ 25

Author(s):

Matteo Baldoni ◽

Daniele Selli ◽

Antonio Sgamellotti ◽

Francesco Mercuri

Keyword(s):

Carbon Nanotubes ◽

Finite Length ◽

Chiral Carbon ◽

Clar Sextet

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Semiempirical calculations on the electronic properties of finite-length models of carbon nanotubes based on Clar sextet theory

Molecular Simulation ◽

10.1080/08927020802101726 ◽

2008 ◽

Vol 34 (10-15) ◽

pp. 905-908 ◽

Cited By ~ 5

Author(s):

Francesco Mercuri

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Finite Length ◽

Semiempirical Calculations ◽

Clar Sextet

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Electromagnetic scattering from finite-length metallic carbon nanotubes in the lower IR bands

Physical Review B ◽

10.1103/physrevb.74.035119 ◽

2006 ◽

Vol 74 (3) ◽

Cited By ~ 34

Author(s):

Jin Hao ◽

George W. Hanson

Keyword(s):

Carbon Nanotubes ◽

Finite Length ◽

Electromagnetic Scattering ◽

Ir Bands

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Theoretical Insight into Configurational Selectivity of Functionalized Single-Walled Carbon Nanotubes Based on the Clar Sextet Theory

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b03655 ◽

2019 ◽

Vol 123 (30) ◽

pp. 18629-18637

Author(s):

Pei Zhao ◽

Yutaka Maeda ◽

Masahiro Ehara

Keyword(s):

Carbon Nanotubes ◽

Single Walled Carbon Nanotubes ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes ◽

Theoretical Insight ◽

Insight Into ◽

Clar Sextet

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Screening of water dipoles inside finite-length armchair carbon nanotubes

Electrical Performance of Electronic Packaging IWCE-04 ◽

10.1109/iwce.2004.1407363 ◽

2004 ◽

Author(s):

Yan Li ◽

Deyu Lu ◽

Rotkin ◽

Schulten ◽

Ravaioli

Keyword(s):

Carbon Nanotubes ◽

Finite Length

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Finite length effects on first hyperpolarizability tensor for chiral carbon nanotubes with application to second harmonic far-field radiation pattern

Journal of Raman Spectroscopy ◽

10.1002/jrs.2254 ◽

2009 ◽

Vol 40 (7) ◽

pp. 840-846 ◽

Cited By ~ 3

Author(s):

L. De Dominicis ◽

R. Fantoni

Keyword(s):

Carbon Nanotubes ◽

Radiation Pattern ◽

Finite Length ◽

Second Harmonic ◽

Far Field ◽

First Hyperpolarizability ◽

Chiral Carbon ◽

Field Radiation ◽

Length Effects

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Ionization potentials and structural properties of finite-length single-walled carbon nanotubes: DFT study

Physica E Low-dimensional Systems and Nanostructures ◽

10.1016/j.physe.2013.07.004 ◽

2013 ◽

Vol 54 ◽

pp. 262-266 ◽

Cited By ~ 29

Author(s):

Igor K. Petrushenko ◽

Nikolay A. Ivanov

Keyword(s):

Carbon Nanotubes ◽

Structural Properties ◽

Finite Length ◽

Single Walled Carbon Nanotubes ◽

Ionization Potentials ◽

Dft Study ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes

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Structural and Reactivity Properties of Finite Length Cap-Ended Single-Wall Carbon Nanotubes

The Journal of Physical Chemistry A ◽

10.1021/jp0570418 ◽

2006 ◽

Vol 110 (8) ◽

pp. 2771-2775 ◽

Cited By ~ 11

Author(s):

Jin Zhao ◽

Perla B. Balbuena

Keyword(s):

Carbon Nanotubes ◽

Finite Length ◽

Single Wall Carbon Nanotubes ◽

Single Wall Carbon

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Long periodic oscillation of electronic properties in capped finite-length armchair carbon nanotubes

Physical Review B ◽

10.1103/physrevb.71.073409 ◽

2005 ◽

Vol 71 (7) ◽

Cited By ~ 6

Author(s):

Jia Li ◽

Gang Zhou ◽

Li Yang ◽

Jian Wu ◽

Wenhui Duan

Keyword(s):

Carbon Nanotubes ◽

Electronic Properties ◽

Finite Length ◽

Periodic Oscillation

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Absorption Cross-Section and Near-Field Enhancement in Finite-Length Carbon Nanotubes in the Terahertz-to-Optical Range

Journal of Computational and Theoretical Nanoscience ◽

10.1166/jctn.2009.1258 ◽

2009 ◽

Vol 6 (9) ◽

pp. 2016-2023 ◽

Cited By ~ 15

Author(s):

M. V. Shuba ◽

S. A. Maksimenko ◽

G. Ya. Slepyan

Keyword(s):

Carbon Nanotubes ◽

Cross Section ◽

Finite Length ◽

Absorption Cross Section ◽

Near Field ◽

Field Enhancement ◽

Absorption Cross ◽

Optical Range

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