Structure, binding energy, and equilibrium constant of the nitric acid-water complex

Geophysical Research Letters

Volumn 23, Issue 14, 1996, Pages 1797-1800

  Tao, Fu Ming ^a   Higgins, Kelly ^b   Klemperer, William ^b   Nelson, David D ^c  

^a CALIFORNIA STATE UNIVERSITY   (United States)

^b HARVARD UNIVERSITY   (United States)

^c AERODYNE RESEARCH INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CALCULATIONS; HYDROGEN BONDS; MOLECULAR STRUCTURE; NITRIC ACID; WATER; BINS; EQUILIBRIUM CONSTANTS;

ASYMMETRIC DOUBLY HYDROGEN BONDED RING; EQUILIBRIUM CONSTANT;

ATMOSPHERIC COMPOSITION; COMPLEXATION;

HYDROXYL; NITRIC ACID; TRACE GAS;

ACID WATERS; EARTH'S SURFACE; EQUILIBRIUM STRUCTURES; HIGH-LEVEL AB INITIO CALCULATIONS; HYDROXYL GROUPS; INFRARED INTENSITY; ISOLATED MOLECULES; OH STRETCHING FREQUENCIES;

EID: 0001140938     PISSN: 00948276     EISSN: None     Source Type: Journal    
DOI: 10.1029/96GL00947     Document Type: Article

References (12)

1. Atkins, P.W., Physical Chemistry, Chapter 21, W.H. Freeman and Co., San Francisco, 1978.
2. 2O vapors by measurement of thermal conductivity, J. Chem. Phys. 71, 2703, 1979.
3. Dayton, D.C., et al., Photofragment angular distributions for HF dimer: scaled J-J correlations in state-to-state photodissociation, J. Chem. Phys. 90, 2631, 1989;
4. Dingle, T. W., et al., Contraction of the well-tempered Gaussian basis sets: the first row diatomic molecules, J. Comput. Chem. 10, 753, 1989.
5. Ellingson, R.G., et al., The intercomparison of radiation codes used in climate models: long wave results, J. Geophys. Res. 96, 8929-8953, 1991.
6. Feller, D., Application of systematic sequences of wave functions to the water dimer, J. Chem. Phys. 96, 6104, 1992.
7. 2O) radical complex, J. Am. Chem. Soc. 117, 9917, 1995.
8. Frost, G.J., et al., Atmospheric implications of the photolysis of the ozone-water weakly bound complex, J. Geophys. Res. 100, 18803, 1995.
9. Hehre, W.J., et al., Ab initio Molecular Orbital Theory, Wiley, New York, 1986.
10. Huber, K.P., et al., Molecular Spectra and Molecular Structure, V. Constants of Polyatomic Molecules, van Nostrand-Reinhold, New York, 1979.
11. Wang, Y.-B., et al., Accurate calculation of the binding energy of the water dimer, J. Mol. Struct. (THEOCHEM) 309, 235, 1994.
12. 2, ClO and BrO, Science 266, 398-404, 1994.