Spectroscopic signatures of topological and diatom-vacancy defects in single-walled carbon nanotubes

Probing single-walled carbon nanotube defect chemistry using resonance Raman spectroscopy

(2013) Wissam A. Saidi et al.   CARBON

Unweaving the rainbow: a review of the relationship between single-walled carbon nanotube molecular structures and their chemical reactivity

(2012) Stephen A. Hodge et al.   CHEMICAL SOCIETY REVIEWS

Asymmetric-Lanczos-Chain-Driven Implementation of Electronic Resonance Convergent Coupled-Cluster Linear Response Theory

(2012) Sonia Coriani et al.   Journal of Chemical Theory and Computation

Resonance Raman Spectra of TNT and RDX Using Vibronic Theory, Excited-State Gradient, and Complex Polarizability Approximations

(2012) W. A. Al-Saidi et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Brightening of the Lowest Exciton in Carbon Nanotubes via Chemical Functionalization

(2012) Svetlana Kilina et al.   NANO LETTERS

Coupled-cluster response theory for near-edge x-ray-absorption fine structure of atoms and molecules

(2012) Sonia Coriani et al.   PHYSICAL REVIEW A

On the Efficiency of Algorithms for Solving Hartree–Fock and Kohn–Sham Response Equations

(2011) Joanna Kauczor et al.   Journal of Chemical Theory and Computation

Tuning the Raman Resonance Behavior of Single-Walled Carbon Nanotubes via Covalent Functionalization

(2011) Jean-Yves Mevellec et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A perspective on nonresonant and resonant electronic response theory for time-dependent molecular properties

(2011) Patrick Norman   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Vibrational properties and Raman spectra of single-wall carbon nanotubes with divacancy

(2010) Xu Chang et al.   JOURNAL OF APPLIED PHYSICS

Vibrational absorption spectra calculated from vibrational configuration interaction response theory using the Lanczos method

(2010) Peter Seidler et al.   JOURNAL OF CHEMICAL PHYSICS

Defects in Individual Semiconducting Single Wall Carbon Nanotubes: Raman Spectroscopic and in Situ Raman Spectroelectrochemical Study

(2010) Martin Kalbac et al.   NANO LETTERS

Functionalization of single-wall carbon nanotubes through chloroform adsorption: theory and experiment

(2010) Eduardo C. Girão et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Organic functionalisation and characterisation of single-walled carbon nanotubes

(2009) Prabhpreet Singh et al.   CHEMICAL SOCIETY REVIEWS

Theoretical resonant Raman spectra of nanotube (7,0) with point defects

(2009) Valentin N. Popov et al.   PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS

Time-dependent density functional theory for resonant properties: resonance enhanced Raman scattering from the complex electric-dipole polarizability

(2009) Abdelsalam Mohammed et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Functional Covalent Chemistry of Carbon Nanotube Surfaces

(2008) Xiaohui Peng et al.   ADVANCED MATERIALS

Turbo charging time-dependent density-functional theory with Lanczos chains

(2008) Dario Rocca et al.   JOURNAL OF CHEMICAL PHYSICS

Characteristic vibrational modes of a single vacancy in a zigzag carbon nanotube

(2008) H. Y. He et al.   PHYSICAL REVIEW B

Atomic and electronic structure of divacancies in carbon nanotubes

(2008) Savas Berber et al.   PHYSICAL REVIEW B

First-principles calculations of the ferroelastic transition between rutile-type andCaCl2-typeSiO2at high pressures

(2008) Atsushi Togo et al.   PHYSICAL REVIEW B