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A theoretical study of ten N
8
isomers
Laura Gagliardi
, Stefano Evangelisti
, Björn O. Roos
, Per O. Widmark
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
43
Scopus citations
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8
isomers'. Together they form a unique fingerprint.
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Keyphrases
Hartree-Fock
100%
Density Functional Theory
66%
Local Minima
66%
Total Energy
33%
Vibrational Frequencies
33%
Cc-pVTZ
33%
Comparative Calculation
33%
Energy Hypersurface
33%
Chemistry
Møller-Plesset Perturbation Theory
100%
Density Functional Theory
66%
Vibrational Frequency
33%
Engineering
Theoretical Study
100%
Local Minimum
100%