Summary of previous literature on the conformation stability of X2A′ HNNO.a
Calculated equilibrium structures and relative energetics for trans-HNNO, cis-HNNO, and ONHN using predominately UHF-based methods.
Summary of previous literature on the structure of trans-HNNO.
Mode assignment and previously calculated harmonic frequencies (in cm−1) for trans-HNNO compared to the experimental band origins measured in a Xe matrix.
Calculated harmonic frequencies for trans-HN2O, cis-HN2O, and ONHN (in cm−1) using predominately UHF-based methods.a
Equilibrium and ground state rotational constants, anharmonic band origins, and isotopic shifts (all in cm−1) for trans- and cis-HNNO and ONHN.a
Calculated R/UCCSD(T) equilibrium structures (Å and °) and vibrational frequencies (cm−1) for X2A1 NO2 a.
Calculated atomization energy, heat of formation, and contributions of additive corrections for trans-H14N2 16O (in kcal/mol).
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