QCFF/PI vibrational frequencies of some spherical carbon clusters

1991 ◽  
Vol 113 (16) ◽  
pp. 6037-6040 ◽  
Author(s):  
Fabrizia Negri ◽  
Giorgio Orlandi ◽  
Francesco Zerbetto
Keyword(s):  
Vibrational Frequencies ◽  
Carbon Clusters ◽  
Spherical Carbon

scholarly journals DFT Calculations of Vibrational Frequencies of Aluminum and Phosphorous Doped-Carbon Clusters

2013 ◽  
Vol 25 (8) ◽  
pp. 4735-4740
Author(s):  
Maqsood Ahmad Malik ◽  
Firdosa Nabi ◽  
Christopher G. Jesudason ◽  
Shaeel Ahmed Al-Thabaiti
Keyword(s):  
Dft Calculations ◽  
Vibrational Frequencies ◽  
Carbon Clusters

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

2015 ◽  
Vol 17 (5) ◽  
pp. 3898-3908 ◽  
Author(s):  
Hainam Do ◽  
Nicholas A. Besley
Keyword(s):  
Vibrational Frequencies ◽  
Carbon Clusters ◽  
Empirical Potentials

Empirical potentials are assessed and optimized for the calculation of the vibrational frequencies of fullerenes and nanotubes.

Strings of spherical carbon clusters grown in a catalytic arc discharge

1994 ◽  
Vol 228 (6) ◽  
pp. 506-512 ◽  
Author(s):  
Sugapan Seraphin ◽  
Su Wang ◽  
Dan Zhou ◽  
Jun Jiao
Keyword(s):  
Arc Discharge ◽  
Carbon Clusters ◽  
Spherical Carbon

Polymer oxidation catalyst containing acidic functional groups

1981 ◽  
Vol 46 (5) ◽  
pp. 1237-1247
Author(s):  
Zdeněk Prokop ◽  
Karel Setínek
Keyword(s):  
Functional Groups ◽  
Elevated Temperatures ◽  
Redox Properties ◽  
Oxidation Catalyst ◽  
Carbon Clusters ◽  
Oxidation Activity ◽  
Redox Sites ◽  
Styrene Divinylbenzene ◽  
Proportional Decrease ◽  
Polymer Oxidation

The catalyst containing redox sites in addition to acid functional groups was prepared by sulphonation of a macroporous chloromethylated styrene-divinylbenzene copolymer with concentrated sulphuric acid at elevated temperatures. Its activity was tested for the oxidation of 2-propanol by molecular oxygen at 120 °C and was found to be comparable to that of the iridium on carbon catalyst.Neutralisation of acid functional groups by alkali metal led to proportional decrease in the oxidation activity. The results of EPR spectroscopic study of these catalysts show that the redox properties of the polymer are caused by carbon clusters which are capable of electron exchange.

scholarly journals First-Principles Identification of Single Photon Emitters Based on Carbon Clusters in Hexagonal Boron Nitride

2021 ◽  
Vol 125 (6) ◽  
pp. 1325-1335 ◽  
Author(s):  
Cesar Jara ◽  
Tomáš Rauch ◽  
Silvana Botti ◽  
Miguel A. L. Marques ◽  
Ariel Norambuena ◽  
...  
Keyword(s):  
Boron Nitride ◽  
First Principles ◽  
Single Photon ◽  
Hexagonal Boron Nitride ◽  
Carbon Clusters ◽  
Single Photon Emitters

An Effective Method of Producing Small Neutral Carbon Clusters

2007 ◽  
Vol 24 (7) ◽  
pp. 1912-1914
Author(s):  
Xia Zhu-Hong ◽  
Chen Cheng-Chu ◽  
Hsu Yen-Chu
Keyword(s):  
Carbon Clusters

scholarly journals Carbon clusters near the crossover to fullerene stability

2000 ◽  
Vol 62 (23) ◽  
pp. 15394-15397 ◽  
Author(s):  
P. R. C. Kent ◽  
M. D. Towler ◽  
R. J. Needs ◽  
G. Rajagopal
Keyword(s):  
Carbon Clusters ◽  
Fullerene Stability
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