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Density functional theory study of C
n
F
3
-
(n = 1-9) clusters
J. Y. Qi
, H. Liang
, M. D. Chen
*
, W. Wu
, Q. E. Zhang
, C. T. Au
*
Corresponding author for this work
Department of Chemistry
Research output
:
Contribution to journal
›
Journal article
›
peer-review
3
Citations (Scopus)
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n
F
3
-
(n = 1-9) clusters'. Together they form a unique fingerprint.
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Chemistry
Ground State
100%
Density Functional Theory Study
100%
Fluorine Atom
100%
Copernicium
80%
Carbon Atom
60%
Polyacetylene Polymer
20%
DFT-B3LYP Calculation
20%
Binding Energy
20%
Vibrational Frequency
20%
Electron Detachment
20%
Density Functional Theory
20%
Keyphrases
Density Functional Theory
100%
Fluorine Atom
100%
Carbon Atom
60%
Mass Spectrometric Studies
20%
Polyacetylene
20%
B3LYP Functional
20%
Density Functional Method
20%
Vibrational Frequencies
20%
Binding Energy
20%
Geometry Optimization
20%
Structure Stability
20%
Relative Intensity
20%
Bonding Character
20%
Vertical Detachment Energy
20%
Atomic Charges
20%
Geometrical Structure
20%
Sp2-hybridized
20%
Material Science
Density
100%
Copernicium
100%
Polyacetylene
25%