Related references
Note: Only part of the references are listed.WebMO: Web-based computational chemistry calculations in education and research
William F. Polik et al.
WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE (2022)
Chain Formation during Hydrogen Loss and Reconstruction in Carbon Nanobelts
Yuri Tanuma et al.
NANOMATERIALS (2022)
First-principles investigation of interaction between the atomic oxygen species and carbon nanostructures
Yulia G. Polynskaya et al.
CARBON TRENDS (2022)
Electronic Properties of Carbon Nanobelts Predicted by Thermally-Assisted-Occupation DFT
Sonai Seenithurai et al.
NANOMATERIALS (2021)
Transformation of a graphene nanoribbon into a hybrid 1D nanoobject with alternating double chains and polycyclic regions
Alexander S. Sinitsa et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2021)
Long triple carbon chains formation by heat treatment of graphene nanoribbon: Molecular dynamics study with revised Brenner potential
Alexander S. Sinitsa et al.
CARBON (2018)
Electric-Field Control of Spin-Polarization and Semiconductor-to-Metal Transition in Carbon-Atom-Chain Devices
Renato Batista dos Santos et al.
JOURNAL OF PHYSICAL CHEMISTRY C (2017)
Synthesis of a carbon nanobelt
Guillaume Povie et al.
SCIENCE (2017)
Design and Synthesis of Carbon Nanotube Segments
Yasutomo Segawa et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2016)
Spin and structural features of oxygen dissociation on tetrahedral Ag20 and Ag19Au clusters
D. A. Pichugina et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2016)
Electronic Properties of Cyclacenes from TAO-DFT
Chun-Shian Wu et al.
SCIENTIFIC REPORTS (2016)
New insights into the properties and interactions of carbon chains as revealed by HRTEM and DFT analysis
Gilberto Casillas et al.
CARBON (2014)
The Nature of One-Dimensional Carbon: Polyynic versus Cumulenic
Christian Neiss et al.
CHEMPHYSCHEM (2014)
Mechanically Induced Metal Insulator Transition in Carbyne
Vasilii I. Artyukhov et al.
NANO LETTERS (2014)
Electrical Transport Measured in Atomic Carbon Chains
Ovidiu Cretu et al.
NANO LETTERS (2013)
Structural phase transition and band gap of uniaxially deformed (6,0) carbon nanotube
Nikolai A. Poklonski et al.
CHEMICAL PHYSICS LETTERS (2012)
Density functional theory with fractional orbital occupations
Jeng-Da Chai
JOURNAL OF CHEMICAL PHYSICS (2012)
Symmetrizer: Algorithmic determination of point groups in nearly symmetric molecules
R. Jeffrey Largent et al.
JOURNAL OF COMPUTATIONAL CHEMISTRY (2012)
Strain-activated edge reconstruction of graphene nanoribbons
Y. C. Cheng et al.
PHYSICAL REVIEW B (2012)
Switching Behavior of Carbon Chains Bridging Graphene Nanoribbons: Effects of Uniaxial Strain
Brahim Akdim et al.
ACS NANO (2011)
Atomic-Scale Electron-Beam Sculpting of Near-Defect-Free Graphene Nanostructures
Bo Song et al.
NANO LETTERS (2011)
Quantum Spin Transport in Carbon Chains
Zeila Zanolli et al.
ACS NANO (2010)
NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations
M. Valiev et al.
COMPUTER PHYSICS COMMUNICATIONS (2010)
From graphene constrictions to single carbon chains
Andrey Chuvilin et al.
NEW JOURNAL OF PHYSICS (2009)
Deriving Carbon Atomic Chains from Graphene
Chuanhong Jin et al.
PHYSICAL REVIEW LETTERS (2009)
Effect of Axial Torsion on sp Carbon Atomic Wires
Luca Ravagnan et al.
PHYSICAL REVIEW LETTERS (2009)
Synthesis, Characterization, and Theory of [9]-, [12]-, and [18]Cycloparaphenylene: Carbon Nanohoop Structures
Ramesh Jasti et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2008)
Negative differential resistance in carbon atomic wire-carbon nanotube junctions
Khoong Hong Khoo et al.
NANO LETTERS (2008)
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
Yan Zhao et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Nanospintronic properties of carbon-cobalt atomic chains
E Durgun et al.
EUROPHYSICS LETTERS (2006)
A new class of atomic basis functions for accurate electronic structure calculations of molecules
DN Laikov
CHEMICAL PHYSICS LETTERS (2005)
PRIRODA-04: a quantum-chemical program suite. New possibilities in the study of molecular systems with the application of parallel computing
DN Laikov et al.
RUSSIAN CHEMICAL BULLETIN (2005)
Direct observation of the mechanical properties of single-walled carbon nanotubes and their junctions at the atomic level
HE Troiani et al.
NANO LETTERS (2003)
Share Paper
