Search Results - "Hougen, J.T."

Torsion–rotation global analysis of the first three torsional states ( ν t = 0, 1, 2) and terahertz database for methanol by Xu, Li-Hong, Fisher, J., Lees, R.M., Shi, H.Y., Hougen, J.T., Pearson, J.C., Drouin, B.J., Blake, G.A., Braakman, R.

“…Stimulated by recent THz measurements of the methanol spectrum in one of our laboratories, undertaken in support of NASA programs related to the Herschel Space…”
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Spin-torsion dominated hyperfine splittings in the first excited torsional state (vt = 1) of methanol by Xu, Li-Hong, Hougen, J.T., Golubiatnikov, G.Yu, Belov, S.P., Lapinov, A.V., Alekseev, E.A., Krapivin, I., Margulès, L., Motiyenko, R.A., Bailleux, S.

“…[Display omitted] •Spin-torsion dominated hyperfine splittings in vt = 1 torsional state of methanol.•Proton-spin magnetic hyperfine interactions in E…”
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Ab initio calculations of torsionally mediated hyperfine splittings in E states of acetaldehyde by Xu, Li-Hong, Reid, E.M., Guislain, B., Hougen, J.T., Alekseev, E.A., Krapivin, I.

“…[Display omitted] •MP2 ab initio calculations give accurate spin-rotation hyperfine constants for methanol.•MP2 spin-rotation interaction tensor for…”
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Analysis and fit of the Fourier-transform microwave spectrum of the two-top molecule N-methylacetamide by Ohashi, N., Hougen, J.T., Suenram, R.D., Lovas, F.J., Kawashima, Y., Fujitake, M., Pyka, J.

“…The jet-cooled Fourier-transform microwave spectrum of N-methylacetamide (CH 3NHC(O)CH 3), a molecule containing two methyl tops with relatively low…”
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Symmetry and Fourier analysis of the ab initio-determined torsional variation of structural and Hessian-related quantities for application to vibration–torsion–rotation interactions in CH3OH by Xu, Li-Hong, Hougen, J.T., Fisher, J.M., Lees, R.M.

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Ground and first excited torsional states of acetamide by Ilyushin, V.V., Alekseev, E.A., Dyubko, S.F., Kleiner, I., Hougen, J.T.

“…We present a first global study involving rotational levels in the lowest three torsional states of acetamide (CH 3CONH 2). New measurements of this spectrum,…”
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Global Fit of Torsional-Rotational Transitions in the Ground and First Excited Torsional States of Methanol by Xu, L.H., Hougen, J.T.

“…Methanol data for ν t = 0 (below the barrier) and ν t = 1 (straddling the barrier) have been treated, using a program based on the formalism of Herbst et al. (…”
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The Third and Fourth Torsional States of Acetaldehyde by Kleiner, I., Hougen, J.T., Grabow, J.-U., Belov, S.P., Tretyakov, M.Yu, Cosléou, J.

“…A least-squares fit is presented of 1105 far-infrared and 2860 microwave transitions in acetaldehyde, which sample rotational levels in all torsional states…”
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A fitting program for molecules with two inequivalent methyl tops and a plane of symmetry at equilibrium: Application to new microwave and millimeter-wave measurements of methyl acetate by Tudorie, M., Kleiner, I., Hougen, J.T., Melandri, S., Sutikdja, L.W., Stahl, W.

“…Equilibrium structure of methyl acetate (upper panel). An example of a Doppler doublet from the Fourier transform spectrum of methyl acetate, namely the…”
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Microwave study of internal rotation in para-tolualdehyde: Local versus global symmetry effects at the methyl-rotor site by Saal, Hilkka, Grabow, J.-U., Hight Walker, A.R., Hougen, J.T., Kleiner, I., Caminati, W.

“…[Display omitted] •Information transfer from the top of a benzene ring to the bottom is investigated.•Internal rotation barriers V3 and V6 in p-tolualdehyde…”
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Symmetry and Fourier analysis of the ab initio-determined torsional variation of structural and Hessian-related quantities for application to vibration–torsion–rotation interactions in CH 3OH by Xu, Li-Hong, Hougen, J.T., Fisher, J.M., Lees, R.M.

“…The aim of the present paper is to investigate the use of quantum chemistry calculations to obtain the torsional dependence of various structural and…”
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Submillimeter spectrum and analysis of vibrational and hyperfine coupling effects in (HI) 2 by Coudert, L.H., Belov, S.P., Willaert, F., McElmurry, B.A., Bevan, J.W., Hougen, J.T.

“…Doppler-displaced components of one quadrupole component of the R(0) transition of HI dimer. Observed rotational–vibrational transitions of HI dimer in the…”
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Assignment, fit, and theoretical discussion of the ν10 band of acetaldehyde near 509cm−1 by Kleiner, I., Moazzen-Ahmadi, N., McKellar, A.R.W., Blake, T.A., Sams, R.L., Sharpe, S.W., Moruzzi, G., Hougen, J.T.

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The rotational spectrum of the ground state of methylamine by Ilyushin, V.V., Alekseev, E.A., Dyubko, S.F., Motiyenko, R.A., Hougen, J.T.

“…Recent progress is reported in measuring, assigning, and fitting the rotational spectrum of the ground vibrational state of methylamine, CH 3NH 2, a spectrum…”
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Assignment, fit, and theoretical discussion of the ν 10 band of acetaldehyde near 509 cm −1 by Kleiner, I., Moazzen-Ahmadi, N., McKellar, A.R.W., Blake, T.A., Sams, R.L., Sharpe, S.W., Moruzzi, G., Hougen, J.T.

“…The lowest small-amplitude vibration in acetaldehyde (CH 3CHO) is the in-plane aldehyde scissors mode ν 10 at 509 cm −1. This mode lies about 175 cm −1 above…”
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Reinvestigation of the Microwave Spectrum of Acetamide by Suenram, R.D., Golubiatnikov, G.Yu, Leonov, I.I., Hougen, J.T., Ortigoso, J., Kleiner, I., Fraser, G.T.

“…About 50 jet-cooled Fourier transform lines for acetamide have been recorded using a new version of our spectrometer, which has been upgraded with a heated…”
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Global Fit of Rotational Transitions in the Ground Torsional State of Methanol by Xu, L.H., Hougen, J.T.

“…We have carried out a global fit of a ν t = 0 and J ≤ 20 methanol data set containing some 730 microwave lines ( K ≤ 12) and 1320 Fourier-transform…”
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The Ground and First Excited Torsional States of Acetic Acid by Ilyushin, V.V., Alekseev, E.A., Dyubko, S.F., Podnos, S.V., Kleiner, I., Margulès, L., Wlodarczak, G., Demaison, J., Cosléou, J., Maté, B., Karyakin, E.N., Golubiatnikov, G.Yu, Fraser, G.T., Suenram, R.D., Hougen, J.T.

“…A global fit of microwave and millimeter-wave rotational transitions in the ground and first excited torsional states (vt = 0 and 1) of acetic acid (CH3COOH)…”
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Line assignments and global analysis of the tunneling–rotational microwave absorption spectrum of dimethyl methylphosphonate by Ohashi, N., Pyka, J., Golubiatnikov, G.Yu, Hougen, J.T., Suenram, R.D., Lovas, F.J., Lesarri, A., Kawashima, Y.

“…Line assignments were carried out for about 600 Fourier-transform microwave transitions for dimethyl methylphosphonate involving levels of all six symmetry…”
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Global Analysis ofa-,b-, andc-Type Transitions Involving Tunneling Components ofK= 0 and 1 States of the Methanol Dimer by Lugez, C.L., Lovas, F.J., Hougen, J.T., Ohashi, N.

“…Spectral data onK= 0 and 1 levels of the methanol dimer available from previous and present Fourier transform microwave measurements have been interpreted…”
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