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A density functional study of phosphorus-doped clusters C
n
P
3
+
(n=1-8)
M. D. Chen
*
, X. B. Li
, L. Dang
, H. Liang
, Q. E. Zhang
, C. T. Au
*
Corresponding author for this work
Department of Chemistry
Research output
:
Contribution to journal
›
Journal article
›
peer-review
1
Citation (Scopus)
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Dive into the research topics of 'A density functional study of phosphorus-doped clusters C
n
P
3
+
(n=1-8)'. Together they form a unique fingerprint.
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Keyphrases
Polyacetylene
100%
Molecular Image
100%
B3LYP Functional
100%
Straight Chain
100%
Density Functional Method
100%
Vibrational Frequencies
100%
Binding Energy
100%
Ground State Structure
100%
Density Functional Study
100%
Carbon Chain
100%
Bond Length
100%
Phosphorus Atoms
100%
Graphics Software
100%
Geometry Optimization
100%
Ionization Potential
100%
Odd number
100%
Bonding Character
100%
Odd-even Alternation
100%
Even number
100%
Carbon Atom
100%
Phosphorus Doping
100%
Doped Clusters
100%
Chemistry
Polyacetylene Polymer
100%
Ionization Potential
100%
DFT-B3LYP Calculation
100%
Phosphorus Atom
100%
Binding Energy
100%
Vibrational Frequency
100%
Bond Length
100%
Ground State
100%
Carbon Atom
100%
Density Functional Theory
100%
Chemical Engineering
Polyacetylene
100%