Discovery of singlet diradicals : Theoretical study on the cage species C14N12-H6 and its six derivatives

Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review

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Keyphrases

100
Carbon Atom Keyphrases
100
Four Species Keyphrases
100
Singlet Diradicals Keyphrases
100
Diradicaloids Keyphrases
100
Diradicals Keyphrases
100
Central Carbon Keyphrases
33
Material Properties Keyphrases
33
Intramolecular Inte... Keyphrases
33
HOMO-LUMO Gap Keyphrases
33
Spin Density Keyphrases
33
Organic Semiconduct... Keyphrases
33
B3LYP Keyphrases
33
Frequency Energy Keyphrases
33
Natural Bond Orbita... Keyphrases
33
Trigonal Keyphrases
33
Harmonic Vibrationa... Keyphrases
33
Occupation number Keyphrases
33
Stabilizing Factor Keyphrases
33
Cc-pVDZ Keyphrases
33
High Energy Density... Keyphrases
33
Natural Orbitals Keyphrases
33
Through-space Inter... Keyphrases
33
Nonlinear Optical M... Keyphrases
33
Singlet State Keyphrases
33
Atom in Molecule An... Keyphrases
33
Electronic Topology Keyphrases
33
Singlet-triplet Ene... Keyphrases

Chemistry

100
Carbon Atom Chemistry
66
Density Chemistry
66
Nitrogen Dioxide Chemistry
33
Analytical Method Chemistry
33
Molecule Chemistry
33
Number Chemistry
33
Concentration Chemistry
33
Band Gap Chemistry
33
Semiconductors Chemistry
33
Energy Chemistry
33
Ground State Chemistry
33
Atom Chemistry
33
Lowest Unoccupied M... Chemistry
33
Pyramidal Crystal Chemistry
33
DFT-B3LYP Calculati... Chemistry
33
HOMO/LUMO Gap Chemistry
33
Vibrational Frequen... Chemistry
33
Natural Bond Orbita... Chemistry
33
Nonlinear Optical M... Chemistry
33
Through-Space Inter... Chemistry
33
formation Chemistry
33
electronics Chemistry

INIS

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hydrogen 6 INIS
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atoms INIS
75
carbon INIS
50
interactions INIS
50
nitrogen dioxide INIS
25
levels INIS
25
semiconductor mater... INIS
25
molecules INIS
25
space INIS
25
energy gap INIS
25
spin INIS
25
density INIS
25
geometry INIS
25
harmonics INIS
25
distance INIS
25
ground states INIS
25
triplets INIS
25
nonlinear problems INIS
25
topology INIS
25
energy density INIS
25
organic semiconduct... INIS
25
occupation number INIS
Research OutputsResearch Output authored by Discovery of singlet diradicals is tagged with the concept