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Author: jon hougen

Displaying records 51 to 60 of 88 records.
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51. The Ground and First Excited Torsional States of Acetic Acid
Published: 1/1/2001
Authors: Vadim V Ilyushin, E A Alekseev, S F Dyubko, S V Podnos, I Kleiner, L Margules, G Wlodarczak, J Demaison, J Cosleou, B Mate, E N Karyakin, G Y Golubiatnikov, Gerald T Fraser, R D. Suenram, Jon Torger Hougen

52. Torsional Splittings in Small-Amplitude Vibrational Fundamental States of Methanol-Type Molecules
Published: 1/1/2001
Author: Jon Torger Hougen

53. Approximate Selection Rules for | K | = 1-0 and 1-1 Tunneling-Rotation Transitions in the Methanol Dimer
Published: 9/1/2000
Authors: N Ohashi, Jon Torger Hougen
Abstract: Approximate K = 0 and |K| = 1 tunneling-rotation eigenfunctions for the four A, four E, and one G symmetry species present in the methanol dimer, derived from molecular parameters obtained previously from a least squares fit to transition frequencies ...

54. K-Scrambling in a Near-Symmetric Top Molecule Containing an Excited Non-Coaxial Internal Rotor
Published: 6/1/2000
Authors: J Ortigoso, Jon Torger Hougen
Abstract: Classical trajectories on rotational energy surfaces and coherent-state quantum projections have been used to study an asymmetric-top molecule containing a freely rotating internal symmetric top whose symmetry axis is not coincident with a principal ...

55. Contact Transformations and Determinable Parameters in Spectroscopic Fitting Hamiltonians
Published: 2/1/2000
Authors: M A Mekhtiev, Jon Torger Hougen
Abstract: In recent least-squares fits of torsion-rotation spectra of acetaldehyde and methanol it was found possible to adjust more fourth-order parameters than would be expected from traditional contact-transformation considerations. To investigate this dis ...

56. Approximate Selection Rules for |K| = 1 - 0 and 1 - 1 Tunneling-Rotational Transitions in the Methanol Dimer
Published: 1/1/2000
Authors: N Ohashi, Jon Torger Hougen

57. Contact Transformations and Determinable Parameters in Spectroscopic Fitting Hamiltonians
Published: 1/1/2000
Authors: M A Mekhtiev, Jon Torger Hougen

58. K-scrambling in a near symmetric top molelcule containing an excited noncoaxial internal rotor
Published: 1/1/2000
Authors: J Ortigoso, Jon Torger Hougen

59. The K-Rotational Labeling Problem for Eigenvectors From Internal Rotor Calculations: Application to Energy Levels of Acetaldehyde Below the Barrier
Published: 6/1/1999
Authors: J Ortigoso, I Kleiner, Jon Torger Hougen
Abstract: The problem of attaching torsional and rotational quantum number labels to computer-generated-numerical eigenvectors with extensive basis set mixing is considered for the internal-rotation-overall-rotation problem in molecules with one methyl top. Q ...

60. On the Physical Interpretation of Torsion-Rotation Parameters in Methanol and Acetaldehyde: Comparison of Global Fit and Ab Initio Results
Published: 2/22/1999
Authors: L H Xu, R M Lees, Jon Torger Hougen
Abstract: Equilibrium structural constants and certain torsion-rotation interaction parameters have been determined for methanol and acetaldehyde from ab initio calculations using Gaussian 94. The substantial molecular flexing which occurs in going from the b ...

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