Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials

QR Code

Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials

Vibrational frequencies for carbon clusters, fullerenes and nanotubes evaluated using empirical carbon-carbon potentials are presented. For linear and cyclic clusters, frequencies evaluated with the reactive empirical bond order (REBO) potential provide the closest agreement with experiment. The mea...

Full description

Bibliographic Details
Main Authors:	Do, Hainam, Besley, Nicholas A.
Format:	Article
Published:	Royal Society of Chemistry 2014
Subjects:	molecular clusters fullerenes vibrational frequencies
Online Access:	https://eprints.nottingham.ac.uk/29978/

Similar Items

A pictorial visualization of normal mode vibrations of the fullerene C_60 molecule in terms of vibrations of a hollow sphere
by: Dunn, Janette L.
Published: (2010)

Proton transfer or hemibonding? The structure and stability of radical cation clusters
by: Do, Hainam, et al.
Published: (2013)

Structure and bonding in ionized water clusters
by: Do, Hainam, et al.
Published: (2013)

Structural optimization of molecular clusters with density functional theory combined with basin hopping
by: Do, Hainam, et al.
Published: (2012)

Density functional theory calculations of the non-resonant and resonant X-ray emission spectroscopy of carbon fullerenes and nanotubes
by: Hanson-Heine, Magnus W.D., et al.
Published: (2018)

NanoCap: A framework for generating capped carbon nanotubes and fullerenes
by: Robinson, Marc, et al.
Published: (2014)

Design and optimisation of fullerene-based nanoemulsion system for nanocosmeceutical applications
by: Ngan, Cheng Loong
Published: (2015)

Calculation of images of oriented C_60 molecules using molecular orbital theory
by: Hands, Ian D., et al.
Published: (2010)

Tuning the interactions between electron spins in fullerene-based triad systems
by: Lebedeva, Maria A., et al.
Published: (2014)

Estimation of Turbine Blade Natural Frequencies from Casing Pressure and Vibration Measurements
by: Forbes, Gareth, et al.
Published: (2013)

Theoretical studies of the endohedral fullerene H2O@C60
by: Rashed, Effat
Published: (2019)

Computational design of electrostatically stable endohedral fullerene superlattices
by: Miller, Abigail
Published: (2022)

Jahn-Teller effects and surface interactions in multiply-charged fullerene anions and the effect on scanning tunneling microscopy images
by: Dunn, Janette L., et al.
Published: (2015)

Ultrasonic dispersal of buckminster fullerene [c60] leads to the formation of [8-hydroxy]fullerenol : synthesis and application
by: Afreen, Sadia
Published: (2018)

Consistent assignment of the vibrations of symmetric and asymmetric ortho-disubstituted benzenes
by: Tuttle, William D., et al.
Published: (2017)

Consistent assignment of the vibrations of symmetric and asymmetric meta-disubstituted benzenes
by: Kemp, David J., et al.
Published: (2018)

Material Storage Mechanism in Porous Nanocarbon – Comparison between Experiment and Simulation
by: Terzyk, A., et al.
Published: (2012)

Computational study of the structure and electronic circular dichroism spectroscopy of blue copper proteins
by: Do, Hainam, et al.
Published: (2013)

Design of mechanically-optimised lattice structures for vibration isolation
by: Syam, Wahyudin P., et al.
Published: (2017)

Electrochemical Characterisation And Application of Solid Electrodes Chemically Modified With C60- Fullerene, Tetrathiafulvalene and Silicon Polyoxotungstate
by: Goh, Joo Kheng
Published: (2005)

Probing the electronic and geometric structure of adsorbed porphyrins and fullerenes
by: Taylor, Simon
Published: (2016)

Design and analysis of strut-based lattice structures for vibration isolation
by: Syam, Wahyudin P., et al.
Published: (2017)

Gas turbine blade natural frequency measurement using external casing vibrations
by: Ratz, Johannes, et al.
Published: (2013)

How the toughest inorganic fullerene cages absorb shockwave pressures in a protective nanocomposite: experimental evidence from two in situ investigations
by: Xu, Fang, et al.
Published: (2017)

Effect of vibration frequencies on the welding properties of rectangular mild steel plate
by: Hussein, Alaa Raad
Published: (2010)

Vibrational energy flow in structures
by: Palmer, James Dirk
Published: (1994)

Stabilising the lowest energy charge-separated state in a {metal chromophore - fullerene} assembly: a tuneable panchromatic absorbing donor-acceptor triad
by: Lebedeva, Maria A., et al.
Published: (2016)

Non-contact gas turbine blade vibration measurment from casing pressure and vibration signals - A review
by: Forbes, Gareth, et al.
Published: (2010)

On the use of contextual time frequency information for full-band clustering-based convolutive blind source separation
by: Atcheson, M., et al.
Published: (2014)

Predicting seat transmissibility of seated human body on suspension seat exposed to vertical whole-body vibration
by: Adam, Siti Aisyah
Published: (2020)

Carbon nanotube based composites for electricity storage in supercapacitors
by: Zhang, Shengwen
Published: (2010)

Prediction of human discomfort perception from combination of noise and translational vibration exposure in a vibro-acoustic environment
by: Aladdin, Mohd Farid
Published: (2020)

Time-frequency clustering with weighted and contextual information for convolutive blind source separation
by: Jafari, I., et al.
Published: (2014)

Symmetry-breaking in the endofullerene H2O@C60 revealed in the quantum dynamics of ortho and para-water: a neutron scattering investigation
by: Goh, Kelvin S.K., et al.
Published: (2014)

Performance of viscous plane damper with box barrel as a vibration dissipation device
by: Mohd Ali, Mohd Ridzuan
Published: (2020)

Performance of a dual-stage inerter-based vibration isolator
by: Yang, Jian, et al.
Published: (2017)

Jahn-Teller effects in molecules on surfaces with specific application to C_60
by: Hands, Ian D., et al.
Published: (2010)

Vibration absorption performance of membrane-type metamaterial on a thin plate
by: Gao, Cong, et al.
Published: (2019)

Development of hybrid rubber-concrete isolation slab system for 3D vibrations
by: Nahal Kamil Fayyadh, Fayyadh
Published: (2021)

New techniques for measurement and tracking of phase and frequency.
by: Hill, Martin T.
Published: (1997)