Electronic Structure and Aromaticity of Graphene Nanoribbons

Accurate Prediction of the Electronic Properties of Low-Dimensional Graphene Derivatives Using a Screened Hybrid Density Functional

(2011) Veronica Barone et al.   ACCOUNTS OF CHEMICAL RESEARCH

CoNTub v2.0 - Algorithms for ConstructingC3-Symmetric Models of Three-Nanotube Junctions

(2011) Santiago Melchor et al.   Journal of Chemical Information and Modeling

Half-metallicity and spin-contamination of the electronic ground state of graphene nanoribbons and related systems: An impossible compromise?

(2011) M. Huzak et al.   JOURNAL OF CHEMICAL PHYSICS

Focal Point Analysis of the Singlet–Triplet Energy Gap of Octacene and Larger Acenes

(2011) Balázs Hajgató et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Edge effects, electronic arrangement, and aromaticity patterns on finite-length carbon nanotubes

(2011) Francisco J. Martín-Martínez et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Clar’s Theory, π-Electron Distribution, and Geometry of Graphene Nanoribbons

(2010) Tobias Wassmann et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A benchmark theoretical study of the electronic ground state and of the singlet-triplet split of benzene and linear acenes

(2009) B. Hajgató et al.   JOURNAL OF CHEMICAL PHYSICS

Local Aromaticity of Pristine and Fluorinated Carbon Nanotubes

(2009) Sílvia Osuna et al.   JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY

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

(2009) Matteo Baldoni et al.   Journal of Physical Chemistry C

Electronic properties and stability of graphene nanoribbons: An interpretation based on Clar sextet theory

(2008) Matteo Baldoni et al.   CHEMICAL PHYSICS LETTERS

On the performance of some aromaticity indices: A critical assessment using a test set

(2008) Ferran Feixas et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Clar−Kekulé Structuring in Armchair Carbon Nanotubes

(2008) Francisco J. Martín-Martínez et al.   ORGANIC LETTERS

Self-Passivating Edge Reconstructions of Graphene

(2008) Pekka Koskinen et al.   PHYSICAL REVIEW LETTERS

Structure, Stability, Edge States, and Aromaticity of Graphene Ribbons

(2008) Tobias Wassmann et al.   PHYSICAL REVIEW LETTERS