The topology of fullerenes

P Schwerdtfeger, LN Wirz… - Wiley Interdisciplinary …, 2015 - Wiley Online Library
Fullerenes are carbon molecules that form polyhedral cages. Their bond structures are
exactly the planar cubic graphs that have only pentagon and hexagon faces. Strikingly, a …

Higher-order sidebands in optomechanically induced transparency

H **ong, LG Si, AS Zheng, X Yang, Y Wu - Physical Review A—Atomic …, 2012 - APS
Higher-order sidebands in optomechanically induced transparency are discussed in a
generic optomechanical system. We take account of nonlinear terms and give an effective …

Top-down formation of fullerenes in the interstellar medium

O Berné, J Montillaud, C Joblin - Astronomy & Astrophysics, 2015 - aanda.org
Fullerenes have recently been detected in various circumstellar and interstellar
environments, raising the question of their formation pathway. It has been proposed that they …

Current status of oxide clusterfullerenes

L Abella, Y Wang, A Rodriguez-Fortea, N Chen… - Inorganica Chimica …, 2017 - Elsevier
The field of endohedral metallofullerenes has developed extraordinarily since the synthesis
and characterization of Sc 3 N@ I hC 80 in 1999, the third most abundant fullerene after C …

Fullerene thermochemical stability: accurate heats of formation for small fullerenes, the importance of structural deformation on reactivity, and the special stability of …

B Chan - The Journal of Physical Chemistry A, 2020 - ACS Publications
We have used quantum chemistry computations, in conjunction with isodesmic-type
reactions, to obtain accurate heats of formation (HoFs) for the small fullerenes C20 …

Small endohedral metallofullerenes: exploration of the structure and growth mechanism in the Ti@ C 2n (2 n= 26–50) family

M Mulet-Gas, L Abella, PW Dunk… - Chemical …, 2015 - pubs.rsc.org
The formation of the smallest fullerene, C28, was recently reported using gas phase
experiments combined with high-resolution FT-ICR mass spectrometry. An internally located …

Single-walled carbon nanotube growth from chiral carbon nanorings: prediction of chirality and diameter influence on growth rates

HB Li, AJ Page, S Irle, K Morokuma - Journal of the American …, 2012 - ACS Publications
Catalyst-free, chirality-controlled growth of chiral and zigzag single-walled carbon
nanotubes (SWCNTs) from organic precursors is demonstrated using quantum chemical …

Hot Giant Fullerenes Eject and Capture C2 Molecules: QM/MD Simulations with Constant Density

B Saha, S Irle, K Morokuma - The Journal of Physical Chemistry C, 2011 - ACS Publications
Quantum chemical molecular dynamics (QM/MD) simulations using periodic boundary
conditions show that hot giant fullerene (GF) cages can both eject and capture C2 molecules …

Self-assembly of endohedral metallofullerenes: a decisive role of cooling gas and metal–carbon bonding

Q Deng, T Heine, S Irle, AA Popov - Nanoscale, 2016 - pubs.rsc.org
The endohedral metallofullerene (EMF) self-assembly process in Sc/carbon vapor in the
presence and absence of an inert cooling gas (helium) is systematically investigated using …

[HTML][HTML] ZZ Polynomials for Isomers of (5,6)-Fullerenes Cn with n = 20–50

HA Witek, JS Kang - Symmetry, 2020 - mdpi.com
A compilation of ZZ polynomials (aka Zhang–Zhang polynomials or Clar covering
polynomials) for all isomers of small (5, 6)-fullerenes C n with n= 20–50 is presented. The ZZ …