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Lee, Timothy J., Rice, Julia E. (1992) Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms. The Journal of Physical Chemistry, 96 (2). 650-657 doi:10.1021/j100181a026

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Reference TypeJournal (article/letter/editorial)
TitleAb initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms
JournalThe Journal of Physical Chemistry
AuthorsLee, Timothy J.Author
Rice, Julia E.Author
Year1992 (January)Volume96
Issue2
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/j100181a026Search in ResearchGate
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Mindat Ref. ID8024199Long-form Identifiermindat:1:5:8024199:5
GUID0
Full ReferenceLee, Timothy J., Rice, Julia E. (1992) Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms. The Journal of Physical Chemistry, 96 (2). 650-657 doi:10.1021/j100181a026
Plain TextLee, Timothy J., Rice, Julia E. (1992) Ab initio study of the molecular structure and vibrational spectrum of nitric acid and its protonated forms. The Journal of Physical Chemistry, 96 (2). 650-657 doi:10.1021/j100181a026
In(1992, January) The Journal of Physical Chemistry Vol. 96 (2) American Chemical Society (ACS)

See Also

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Lee, Timothy J., Rice, Julia E. (1993) Ab initio study of the chlorine nitrate protonation reaction: implications for loss of ClONO2 in the stratosphere. The Journal of Physical Chemistry, 97 (25). 6637-6644 doi:10.1021/j100127a012
Lee, Timothy J., Rice, Julia E. (1992) Proton affinity of methyl nitrate: less than proton affinity of nitric acid. Journal Of The American Chemical Society, 114 (21) 8247-8256 doi:10.1021/ja00047a040
Rice, Julia E., Lee, Timothy J., Schaefer, Henry F. (1986) Molecular structure and infrared spectrum of protonated nitrous oxide. Chemical Physics Letters, 130. 333-336 doi:10.1016/0009-2614(86)80479-1
Martin, Jan M.L., Lee, Timothy J. (1996) Accurate ab initio quartic force field and vibrational frequencies of the NH4+ ion and its deuterated forms. Chemical Physics Letters, 258. 129-135 doi:10.1016/0009-2614(96)00679-3
Grana, Ana M., Lee, Timothy J., Head-Gordon, Martin (1995) Ab Initio Calculations of Singlet and Triplet Excited States of Chlorine Nitrate and Nitric Acid. The Journal of Physical Chemistry, 99 (11). 3493-3502 doi:10.1021/j100011a015
Kwiatkowski, Jozef S., Leszczynski, Jerzy (1992) The quantitative prediction and interpretation of vibrational spectra of organophosphorus compounds. 4. Ab initio post-Hartree-Fock study of molecular structures and vibrational spectra of phosphine oxide, phosphinous acid, and their thio analogs. The Journal of Physical Chemistry, 96 (16). 6636-6640 doi:10.1021/j100195a023
Hein, Thomas A., Thiel, Walter, Lee, Timothy J. (1993) Ab initio study of the stability and vibrational spectra of plumbane, methylplumbane, and homologous compounds. The Journal of Physical Chemistry, 97 (17). 4381-4385 doi:10.1021/j100119a021
Otto, André Henry (1991) Ab initio self-consistent field-molecular orbital study of formaldoxime and its protonated forms. Journal of Molecular Structure: THEOCHEM, 235. 489-493 doi:10.1016/0166-1280(91)85121-m
Parthiban, Srinivasan, Lee, Timothy J. (1998) Ab initio investigation of the atmospheric molecule bromine nitrate: Equilibrium structure, vibrational spectrum, and heat of formation. The Journal of Chemical Physics, 109 (2). 525-530 doi:10.1063/1.476589
Lee, Timothy J., Dateo, Christopher E., Rice, Julia E. (1999) An analysis of chlorine and bromine oxygen bonding and its implications for stratospheric chemistry. Molecular Physics, 96. 633-643 doi:10.1080/00268979909483000
Gejji, Shridhar P., Hermansson, Kersti, Lindgren, Jan (1994) Structure and Vibrational Frequencies of the Molecular Trichloromethanesulfonic Acid and Its Anion from ab Initio Calculations. The Journal of Physical Chemistry, 98 (35). 8687-8692 doi:10.1021/j100086a017
 
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