-
2
-
-
0034742010
-
3OH
-
3OH Can. J. Phys. 2001, 79, 435-447
-
(2001)
Can. J. Phys.
, vol.79
, pp. 435-447
-
-
Lees, R.M.1
Xu, L.-H.2
Kristoffersen, A.K.3
Lock, M.4
Winnewisser, B.P.5
Johns, J.W.C.6
-
3
-
-
68549083462
-
The Adiabatic Approximation as a Diagnostic Tool for Torsion-Vibration Dynamics
-
Perry, D. S. The Adiabatic Approximation as a Diagnostic Tool for Torsion-Vibration Dynamics J. Mol. Spectrosc. 2009, 257, 1-10
-
(2009)
J. Mol. Spectrosc.
, vol.257
, pp. 1-10
-
-
Perry, D.S.1
-
4
-
-
80052197186
-
3OD
-
3OD J. Phys. Chem. A 2011, 115, 9748-9763
-
(2011)
J. Phys. Chem. A
, vol.115
, pp. 9748-9763
-
-
Twagirayezu, S.1
Wang, X.2
Perry, D.S.3
Neill, J.L.4
Muckle, M.T.5
Pate, B.H.6
Xu, L.-H.7
-
5
-
-
0001241118
-
Sub-Doppler Infrared Spectra and Torsion-Rotation Energy Manifold of Methanol in the CH-Stretch Fundamental Region
-
Xu, L.-H.; Wang, X.; Cronin, T. J.; Perry, D. S.; Fraser, G. T.; Pine, A. S. Sub-Doppler Infrared Spectra and Torsion-Rotation Energy Manifold of Methanol in the CH-Stretch Fundamental Region J. Mol. Spectrosc. 1997, 185, 158-172
-
(1997)
J. Mol. Spectrosc.
, vol.185
, pp. 158-172
-
-
Xu, L.-H.1
Wang, X.2
Cronin, T.J.3
Perry, D.S.4
Fraser, G.T.5
Pine, A.S.6
-
7
-
-
0000660215
-
An Internal Coordinate Model of Coupling between the Torsion and C-H Vibrations in Methanol
-
Wang, X.; Perry, D. S. An Internal Coordinate Model of Coupling between the Torsion and C-H Vibrations in Methanol J. Chem. Phys. 1998, 109, 10795-10805
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10795-10805
-
-
Wang, X.1
Perry, D.S.2
-
8
-
-
0035527105
-
Torsional Splittings in Small-Amplitude Vibrational Fundamental States of Methanol-Type Molecules
-
Hougen, J. T. Torsional Splittings in Small-Amplitude Vibrational Fundamental States of Methanol-Type Molecules J. Mol. Spectrosc. 2001, 207, 60-65
-
(2001)
J. Mol. Spectrosc.
, vol.207
, pp. 60-65
-
-
Hougen, J.T.1
-
9
-
-
33748709886
-
Torsion-Vibration Coupling in Methanol: The Adiabatic Approximation and Intramolecular Vibrational Redistribution Scaling
-
Clasp, T. N.; Perry, D. S. Torsion-Vibration Coupling in Methanol: The Adiabatic Approximation and Intramolecular Vibrational Redistribution Scaling J. Chem. Phys. 2006, 125, 104313/1-104313/9
-
(2006)
J. Chem. Phys.
, vol.125
-
-
Clasp, T.N.1
Perry, D.S.2
-
12
-
-
0031141131
-
Theoretical Study of Vibrational Overtone Spectroscopy and Dynamics of Methanol
-
Halonen, L. Theoretical Study of Vibrational Overtone Spectroscopy and Dynamics of Methanol J. Chem. Phys. 1997, 106, 7931-7945
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 7931-7945
-
-
Halonen, L.1
-
15
-
-
0000932945
-
On the Physical Interpretation of Torsion-Rotation Parameters in Methanol and Acetaldehyde: Comparison of Global Fit and Ab Initio Results
-
Xu, L.-H.; Lees, R. M.; Hougen, J. T. On the Physical Interpretation of Torsion-Rotation Parameters in Methanol and Acetaldehyde: Comparison of Global Fit and Ab Initio Results J. Chem. Phys. 1999, 110, 3835-3841
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 3835-3841
-
-
Xu, L.-H.1
Lees, R.M.2
Hougen, J.T.3
-
16
-
-
0034622752
-
Can a Local Mode Picture Account for Vibration-Torsion Coupling? Ab Initio Test Based on Torsional Variation of Methyl Stretching and Bending Frequencies in Methanol
-
Xu, L.-H. Can a Local Mode Picture Account for Vibration-Torsion Coupling? Ab Initio Test Based on Torsional Variation of Methyl Stretching and Bending Frequencies in Methanol J. Chem. Phys. 2000, 113, 3980-3989
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 3980-3989
-
-
Xu, L.-H.1
-
17
-
-
34548046765
-
Vibrational Levels of Methanol Calculated by the Reaction Path Version of Multimode, Using an Ab Initio, Full-Dimensional Potential
-
Bowman, J. M.; Huang, X.; Handy, N. C.; Carter, S. Vibrational Levels of Methanol Calculated by the Reaction Path Version of Multimode, Using an Ab Initio, Full-Dimensional Potential J. Phys. Chem. A 2007, 111, 7317-7321
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 7317-7321
-
-
Bowman, J.M.1
Huang, X.2
Handy, N.C.3
Carter, S.4
-
19
-
-
84877726243
-
Remarks on Phase Choices for the Electronic Wavefunctions When Carrying out Vibronic or Rovibronic Energy Level and Intensity Calculations for Molecules Exhibiting a Jahn-Teller Effect
-
Hougen, J. T. Remarks on Phase Choices for the Electronic Wavefunctions When Carrying out Vibronic or Rovibronic Energy Level and Intensity Calculations for Molecules Exhibiting a Jahn-Teller Effect J. Mol. Spectrosc. 2013, 288, 14-17
-
(2013)
J. Mol. Spectrosc.
, vol.288
, pp. 14-17
-
-
Hougen, J.T.1
-
20
-
-
0002949379
-
A Group-Theoretical Formalism for the Large-Amplitude Vibration-Rotation Problem in Methylamine-d1
-
Oda, M.; Ohashi, N.; Hougen, J. T. A Group-Theoretical Formalism for the Large-Amplitude Vibration-Rotation Problem in Methylamine-d1 J. Mol. Spectrosc. 1990, 142, 57-84
-
(1990)
J. Mol. Spectrosc.
, vol.142
, pp. 57-84
-
-
Oda, M.1
Ohashi, N.2
Hougen, J.T.3
-
21
-
-
0000906517
-
The Torsional-Wagging Tunneling Problem and the Torsional-Wagging- Rotational Problem in Methylamine
-
Ohashi, N.; Hougen, J. T. The Torsional-Wagging Tunneling Problem and the Torsional-Wagging-Rotational Problem in Methylamine J. Mol. Spectrosc. 1987, 121, 474-501
-
(1987)
J. Mol. Spectrosc.
, vol.121
, pp. 474-501
-
-
Ohashi, N.1
Hougen, J.T.2
-
22
-
-
0009645469
-
The Rotational Spectrum of Methylamine in a Submillimeter-Wave Range
-
Kreglewski, M.; Wlodarczak, G. The Rotational Spectrum of Methylamine in a Submillimeter-Wave Range J. Mol. Spectrosc. 1992, 156, 383-9
-
(1992)
J. Mol. Spectrosc.
, vol.156
, pp. 383-389
-
-
Kreglewski, M.1
Wlodarczak, G.2
-
23
-
-
50149104408
-
Reinvestigation of the Microwave Spectrum of 2-Methylmalonaldehyde
-
Ilyushin, V. V.; Alekseev, E. A.; Chou, Y.-C.; Hsu, Y.-C.; Hougen, J. T.; Lovas, F. J.; Picraux, L. B. Reinvestigation of the Microwave Spectrum of 2-Methylmalonaldehyde J. Mol. Spectrosc. 2008, 251, 56-63
-
(2008)
J. Mol. Spectrosc.
, vol.251
, pp. 56-63
-
-
Ilyushin, V.V.1
Alekseev, E.A.2
Chou, Y.-C.3
Hsu, Y.-C.4
Hougen, J.T.5
Lovas, F.J.6
Picraux, L.B.7
-
24
-
-
84858540272
-
Two-Dimensional Tunneling Hamiltonian Treatment of the Microwave Spectrum of 2-Methylmalonaldehyde
-
Chou, Y.-C.; Hougen, J. T. Two-Dimensional Tunneling Hamiltonian Treatment of the Microwave Spectrum of 2-Methylmalonaldehyde J. Chem. Phys. 2006, 124, 074319/1-074319/10
-
(2006)
J. Chem. Phys.
, vol.124
-
-
Chou, Y.-C.1
Hougen, J.T.2
-
25
-
-
12644264518
-
Assignment of the High Resolution Fundamental Inversion Transitions of Methylamine
-
Sztraka, L.; Alanko, S.; Koivusaari, M. Assignment of the High Resolution Fundamental Inversion Transitions of Methylamine Acta Chim. Hung. 1993, 130, 887-900
-
(1993)
Acta Chim. Hung.
, vol.130
, pp. 887-900
-
-
Sztraka, L.1
Alanko, S.2
Koivusaari, M.3
-
27
-
-
78449275587
-
A Microwave Study of Hydrogen-Transfer-Triggered Methyl-Group Rotation in 5-Methyltropolone
-
Ilyushin, V. V.; Cloessner, E. A.; Chou, Y.-C.; Picraux, L. B.; Hougen, J. T.; Lavrich, R. A Microwave Study of Hydrogen-Transfer-Triggered Methyl-Group Rotation in 5-Methyltropolone J. Chem. Phys. 2010, 133, 184307/1-184307/9
-
(2010)
J. Chem. Phys.
, vol.133
-
-
Ilyushin, V.V.1
Cloessner, E.A.2
Chou, Y.-C.3
Picraux, L.B.4
Hougen, J.T.5
Lavrich, R.6
-
28
-
-
0001574578
-
Far-Infrared Spectrum and Ground State Constants of Methylamine
-
Ohashi, N.; Takagi, K.; Hougen, J. T.; Olson, W. B.; Lafferty, W. J. Far-Infrared Spectrum and Ground State Constants of Methylamine J. Mol. Spectrosc. 1987, 126, 443-59
-
(1987)
J. Mol. Spectrosc.
, vol.126
, pp. 443-459
-
-
Ohashi, N.1
Takagi, K.2
Hougen, J.T.3
Olson, W.B.4
Lafferty, W.J.5
-
29
-
-
0008892918
-
Influence of the Vibrational Zero-Point Energy Correction on the Amine Inversion Barrier and the Far-Infrared Spectrum of Methylamine
-
Smeyers, Y. G.; Villa, M. Influence of the Vibrational Zero-Point Energy Correction on the Amine Inversion Barrier and the Far-Infrared Spectrum of Methylamine Chem. Phys. Lett. 2000, 324, 273-278
-
(2000)
Chem. Phys. Lett.
, vol.324
, pp. 273-278
-
-
Smeyers, Y.G.1
Villa, M.2
-
30
-
-
0001062867
-
Amino Wagging and Inversion in Methylamines
-
Tsuboi, M.; Hirakawa, A. Y.; Ino, T.; Sasaki, T.; Tamagake, K. Amino Wagging and Inversion in Methylamines J. Chem. Phys. 1964, 41, 2721-34
-
(1964)
J. Chem. Phys.
, vol.41
, pp. 2721-2734
-
-
Tsuboi, M.1
Hirakawa, A.Y.2
Ino, T.3
Sasaki, T.4
Tamagake, K.5
-
31
-
-
10844250563
-
Far-Infrared Spectrum of Methylamine: Assignment of the Second Torsional State
-
Oda, M.; Ohashi, N. Far-Infrared Spectrum of Methylamine: Assignment of the Second Torsional State J. Mol. Spectrosc. 1989, 138, 246-50
-
(1989)
J. Mol. Spectrosc.
, vol.138
, pp. 246-250
-
-
Oda, M.1
Ohashi, N.2
-
32
-
-
0038340548
-
Far-Infrared Spectrum of Methyl Amine
-
Ohashi, N.; Takagi, K.; Hougen, J. T.; Olson, W. B.; Lafferty, W. J. Far-Infrared Spectrum of Methyl Amine J. Mol. Spectrosc. 1988, 132, 242-60
-
(1988)
J. Mol. Spectrosc.
, vol.132
, pp. 242-260
-
-
Ohashi, N.1
Takagi, K.2
Hougen, J.T.3
Olson, W.B.4
Lafferty, W.J.5
-
33
-
-
0042102523
-
Microwave Spectrum of Methyl Amine: Assignment and Analysis of the First Torsional State
-
Ohashi, N.; Tsunekawa, S.; Takagi, K.; Hougen, J. T. Microwave Spectrum of Methyl Amine: Assignment and Analysis of the First Torsional State J. Mol. Spectrosc. 1989, 137, 33-46
-
(1989)
J. Mol. Spectrosc.
, vol.137
, pp. 33-46
-
-
Ohashi, N.1
Tsunekawa, S.2
Takagi, K.3
Hougen, J.T.4
-
36
-
-
67650113121
-
The Effective Hamiltonian for the Coupling between Inversion-Torsion States in Methylamine
-
Gulaczyk, I.; Kreglewski, M. The Effective Hamiltonian for the Coupling between Inversion-Torsion States in Methylamine J. Mol. Spectrosc. 2009, 256, 86-90
-
(2009)
J. Mol. Spectrosc.
, vol.256
, pp. 86-90
-
-
Gulaczyk, I.1
Kreglewski, M.2
-
37
-
-
80055079535
-
The C-N Stretching Band of Methylamine
-
Gulaczyk, I.; Kreglewski, M.; Horneman, V.-M. The C-N Stretching Band of Methylamine J. Mol. Spectrosc. 2011, 270, 70-74
-
(2011)
J. Mol. Spectrosc.
, vol.270
, pp. 70-74
-
-
Gulaczyk, I.1
Kreglewski, M.2
Horneman, V.-M.3
-
38
-
-
45149147036
-
The Geometry and Inversion-Internal Rotation Potential Function of Methylamine
-
Kreglewski, M. The Geometry and Inversion-Internal Rotation Potential Function of Methylamine J. Mol. Spectrosc. 1989, 133, 10-21
-
(1989)
J. Mol. Spectrosc.
, vol.133
, pp. 10-21
-
-
Kreglewski, M.1
-
39
-
-
0043104444
-
High-Resolution Infrared Spectrum of Methylamine: Assignment and Analysis of the Wagging State
-
Kreglewski, M.; Winther, F. High-Resolution Infrared Spectrum of Methylamine: Assignment and Analysis of the Wagging State J. Mol. Spectrosc. 1992, 156, 261-91
-
(1992)
J. Mol. Spectrosc.
, vol.156
, pp. 261-291
-
-
Kreglewski, M.1
Winther, F.2
-
40
-
-
0028428079
-
Treatment of Tunneling Motions in Methylamine Using the Generalized Internal Axis-Like Method: Analysis of the Ground Vibrational State
-
Ohashi, N.; Toriyama, Y. Treatment of Tunneling Motions in Methylamine Using the Generalized Internal Axis-Like Method: Analysis of the Ground Vibrational State J. Mol. Spectrosc. 1994, 165, 265-76
-
(1994)
J. Mol. Spectrosc.
, vol.165
, pp. 265-276
-
-
Ohashi, N.1
Toriyama, Y.2
-
41
-
-
80052919480
-
High-Resolution Spectroscopy of the C-N Stretching Band of Methylamine
-
Lees, R. M.; Sun, Z.-D.; Billinghurst, B. E. High-Resolution Spectroscopy of the C-N Stretching Band of Methylamine J. Chem. Phys. 2011, 135, 104306/1-104306/9
-
(2011)
J. Chem. Phys.
, vol.135
-
-
Lees, R.M.1
Sun, Z.-D.2
Billinghurst, B.E.3
-
43
-
-
84951883303
-
Tables of Molecular Vibrational Frequencies
-
Shimanouchi, T. Tables of Molecular Vibrational Frequencies J. Phys. Chem. Ref. Data 1972, 1, 189-216
-
(1972)
J. Phys. Chem. Ref. Data
, vol.1
, pp. 189-216
-
-
Shimanouchi, T.1
-
44
-
-
12144291086
-
Calculation of Spectroscopic Parameters and Vibrational Overtones of Methanol
-
Haenninen, V.; Halonen, L. Calculation of Spectroscopic Parameters and Vibrational Overtones of Methanol Mol. Phys. 2003, 101, 2907-2916
-
(2003)
Mol. Phys.
, vol.101
, pp. 2907-2916
-
-
Haenninen, V.1
Halonen, L.2
-
45
-
-
34548495328
-
Microwave Spectra of Molecules of Astrophysical Interest. XXV. Methylamine
-
Ilyushin, V.; Lovas, F. J. Microwave Spectra of Molecules of Astrophysical Interest. XXV. Methylamine J. Phys. Chem. Ref. Data 2007, 36, 1141-1276
-
(2007)
J. Phys. Chem. Ref. Data
, vol.36
, pp. 1141-1276
-
-
Ilyushin, V.1
Lovas, F.J.2
-
46
-
-
10844238841
-
The Rotational Spectrum of the Ground State of Methylamine
-
Ilyushin, V. V.; Alekseev, E. A.; Dyubko, S. F; Motiyenko, R. A.; Hougen, J. T. The Rotational Spectrum of the Ground State of Methylamine J. Mol. Spectrosc. 2005, 229, 170-187
-
(2005)
J. Mol. Spectrosc.
, vol.229
, pp. 170-187
-
-
Ilyushin, V.V.1
Alekseev, E.A.2
Dyubko, S.F.3
Motiyenko, R.A.4
Hougen, J.T.5
-
47
-
-
77957896900
-
Reinvestigation of the Wagging Band of Methylamine
-
Gulaczyk, I.; Lodyga, W.; Kreglewski, M.; Horneman, V.-M. Reinvestigation of the Wagging Band of Methylamine Mol. Phys. 2010, 108, 2389-2394
-
(2010)
Mol. Phys.
, vol.108
, pp. 2389-2394
-
-
Gulaczyk, I.1
Lodyga, W.2
Kreglewski, M.3
Horneman, V.-M.4
-
48
-
-
0041601593
-
Fourier Transform Spectrum in the Second Torsional Band Region of Methylamine
-
Ohashi, N.; Shimada, H.; Olson, W. B.; Kawaguchi, K. Fourier Transform Spectrum in the Second Torsional Band Region of Methylamine J. Mol. Spectrosc. 1992, 152, 298-306
-
(1992)
J. Mol. Spectrosc.
, vol.152
, pp. 298-306
-
-
Ohashi, N.1
Shimada, H.2
Olson, W.B.3
Kawaguchi, K.4
-
49
-
-
38749099477
-
Torsion-Vibration Coupling in Methanol: Diabatic Behavior in the CH Overtone Region
-
Perry, D. S. Torsion-Vibration Coupling in Methanol: Diabatic Behavior in the CH Overtone Region J. Phys. Chem. A 2008, 112, 215-223
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 215-223
-
-
Perry, D.S.1
-
50
-
-
0002163931
-
Overtone Frequencies and Intensities in the Local Mode Picture
-
Child, M. S.; Halonen, L. Overtone Frequencies and Intensities in the Local Mode Picture Adv. Chem. Phys. 1984, 57, 1-58
-
(1984)
Adv. Chem. Phys.
, vol.57
, pp. 1-58
-
-
Child, M.S.1
Halonen, L.2
-
51
-
-
33845373518
-
Local-Mode Treatment of Normal-Mode Molecules. 2. Application to Chlorotrifluoromethane Overtone Spectra
-
De Souza, A. M.; Perry, D. S. Local-Mode Treatment of Normal-Mode Molecules. 2. Application to Chlorotrifluoromethane Overtone Spectra J. Phys. Chem. 1986, 90, 4508-13
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 4508-4513
-
-
De Souza, A.M.1
Perry, D.S.2
-
52
-
-
70450206724
-
-
Revision B.0.1; Gaussian, Inc: Wallingford, CT.
-
Frish, M. J.; Gaussian 09, Revision B.0.1; Gaussian, Inc: Wallingford, CT, 2009.
-
(2009)
Gaussian 09
-
-
Frish, M.J.1
-
54
-
-
0001000704
-
Global Fit of Rotational Transitions in the Ground Torsional State of Methanol
-
Xu, L.-H.; Jougen, J. T. Global Fit of Rotational Transitions in the Ground Torsional State of Methanol J. Mol. Spectrosc. 1995, 169, 396-409
-
(1995)
J. Mol. Spectrosc.
, vol.169
, pp. 396-409
-
-
Xu, L.-H.1
Jougen, J.T.2
-
55
-
-
5444242356
-
Intramolecular Energy Transfer in Highly Vibrationally Excited Methanol. Iii. Rotational and Torsional Analysis
-
Boyarkin, O. V.; Rizzo, T. R.; Perry, D. S. Intramolecular Energy Transfer in Highly Vibrationally Excited Methanol. Iii. Rotational and Torsional Analysis J. Chem. Phys. 1999, 110, 11359-11367
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 11359-11367
-
-
Boyarkin, O.V.1
Rizzo, T.R.2
Perry, D.S.3
-
56
-
-
0001613144
-
Vibrational Overtone Predissociation Spectroscopy of Hydrogen Peroxide
-
Duebal, H. R.; Crim, F. F. Vibrational Overtone Predissociation Spectroscopy of Hydrogen Peroxide J. Chem. Phys. 1985, 83, 3863-72
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 3863-3872
-
-
Duebal, H.R.1
Crim, F.F.2
-
57
-
-
0001212355
-
Vibrationally Mediated Photodissociation of Hydrogen Peroxide
-
Ticich, T. M.; Likar, M. D.; Duebal, H. R.; Butler, L. J.; Crim, F. F. Vibrationally Mediated Photodissociation of Hydrogen Peroxide J. Chem. Phys. 1987, 87, 5820-9
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5820-5829
-
-
Ticich, T.M.1
Likar, M.D.2
Duebal, H.R.3
Butler, L.J.4
Crim, F.F.5
-
59
-
-
0011083273
-
Harmonic Vibrational Frequencies: An Evaluation of Hartree-Fock, Moeller-Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
-
Scott, A. P.; Radom, L. Harmonic Vibrational Frequencies: An Evaluation of Hartree-Fock, Moeller-Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors J. Phys. Chem. 1996, 100, 16502-16513
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16502-16513
-
-
Scott, A.P.1
Radom, L.2
|