This is a preview of subscription content, log in via an institution to check access.
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Notes
- 1.
In the sake of conformity I will limit myself in most circumstances to list in this chapter quantum-mechanical data at simple B3LYP/6-31G(d,p) theory level for all gaseous molecule. Quite extensive tabulations are provided in the CCCBDB database and are easily accessed by anyone on the web. The comparison of the various theories is very informative (https://cccbdb.nist.gov).
- 2.
The experimental chemical shifts referred to (15NH4)2SO4 powder were converted to the 15NH3 scale by adding 20 ppm (Duncan, 1997).
- 3.
.A resonance interaction between certain of the overtone bands which arises from the near equality of ν1 and ν3 (observed in the water molecule).
- 4.
MODTRAN is a freeware code released by The Chicago University. Available at http://climatemodels.uchicago.edu.
- 5.
The SI unit of radiance is in Watts per steradian per square metre (W·sr−1·m−2).
- 6.
RF is the net change in the energy balance of the Earth system due to some imposed perturbation (Myhre et al., 2013).
- 7.
According to Richet (2021) there are epistemological weaknesses in the Vostok site investigation, residing in the inability of the model to account for the features of the glacial–interglacial transitions, the differing durations of interglacial periods and the constant 7 ka time lag between temperature and CO2 decreases following deglaciation.
- 8.
It must be stressed however that, at the pH conditions ruling in sea water, the Eh-pH predominance field is firmly occupied by bicarbonate ion, hence the nominal CO2 molar fraction in solution does not represent the full amount of dissolved inorganic carbon.
- 9.
Titan’s methane cycle bears a striking similarity to Earth's water cycle, and apparently conforms its planetary surface.
- 10.
Since changes in rotational energy levels are typically much smaller than changes in vibrational energy levels, changes in rotational state are said to give the “fine structure” to the vibrational spectrum.
- 11.
Basically atom 2 replaces atom 4 of Slater, atom 4 replaces atom 3 and atom 3 replaces atom 2. Moreover the unit length is replaced by a.
- 12.
The therm “fundamental” is deserved to vibrational therms associated to transitions from the ground vibrational quantum number \(\varvec{v}\)=0 to \(\varvec{v}\)=1 while “overtones” are generated by transitions from \(\varvec{v}\)=0 to \(\varvec{v}\)=2, etc.
- 13.
This resulted in a large Gaussian basis set with optimized orbital exponents for the oxygen 3d- and 4f-type and hydrogen 2p- and 3d-type functions, in order to get results close to the Hartree-Fock limit. In Matsuoka et al. (1974) this basis set is defined as of “double-zeta plus polarization quality”.
- 14.
NO’s are defined as the eigenfunctions of the one-electron reduced density matrix, the eigenvalues of which are referred to as occupation numbers (Hay, 1973).
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
Copyright information
© 2024 Springer Nature Switzerland AG
About this chapter
Cite this chapter
Ottonello, G.A. (2024). Atmospheric Gases. In: Quantum Geochemistry. Springer Geochemistry. Springer, Cham. https://doi.org/10.1007/978-3-031-21837-8_16
Download citation
DOI: https://doi.org/10.1007/978-3-031-21837-8_16
Published:
Publisher Name: Springer, Cham
Print ISBN: 978-3-031-21836-1
Online ISBN: 978-3-031-21837-8
eBook Packages: Earth and Environmental ScienceEarth and Environmental Science (R0)