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Calculation of the tau dependence of the vibration-internal rotation-overall rotation interactions in CH3OH from molecular structure and molecular dynamics

The Journal of chemical physics, 2005-05, Vol.122 (20), p.204306-204306

Quade, C Richard

2005

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Recalculation of the torsional coefficient F(3) for CH3OH after reduction of lower symmetry terms to cos3τ dependence

Journal of molecular spectroscopy, 2006-03, Vol.236 (1), p.147

Quade, C. Richard

2006

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Vibration–internal rotation–overall rotation interactions in CH3OH. II. Vibration introduced τ-dependence to the reduced kinetic energy coefficient for internal rotation

Journal of molecular spectroscopy, 2003-06, Vol.219 (2), p.186-190

Quade, C.Richard

2003

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A Note on Internal Rotation–Rotation Interactions in Ethyl Alcohol

Journal of molecular spectroscopy, 2000-09, Vol.203 (1), p.200-202

Quade, C.Richard

2000

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Vibration-Internal Rotation-Overall Rotation Interactions in CH(2)DOH and CHD(2)OH

Journal of molecular spectroscopy, 1999-12, Vol.198 (2), p.329-347

Quade, CR

1999

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The dynamic Jahn–Teller effect applied to the temperature-dependent paramagnetic susceptibilities of Ti3+:Al2O3

The Journal of chemical physics, 2003-03, Vol.118 (12), p.5506-5509

2003

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Vibration–Internal Rotation–Overall Rotation Interactions in CH2DOH and CHD2OH: I. Development and Application of the Separation Transformations to the Zeroth-Order Kinetic Energy

Journal of molecular spectroscopy, 1999-12, Vol.198 (2), p.329-347

Quade, C.Richard

1999

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Curvilinear Coordinate Formulation for Vibration–Rotation–Large Amplitude Internal Motion Interactions. III. A Note on the T Transformation for Nonprincipal Axis Systems

Journal of molecular spectroscopy, 1999-08, Vol.196 (2), p.342-343

Quade, C.Richard

1999

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Internal Coordinate Formulation for Vibration–Rotation Energies of Polyatomic Molecules: V. Zeroth-Order Separation for Non-Principal Axis Systems

Journal of molecular spectroscopy, 1998-02, Vol.187 (2), p.179-180

Quade, C.Richard

1998

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Vibration-Internal Rotation-Overall Rotation Interactions in CH3OH

Journal of molecular spectroscopy, 1998-04, Vol.188 (2), p.190-199

Quade, CR

1998

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The Internal Rotation Potential Energy Coefficients for CH2DNH2 and CH2DCHO

Journal of molecular spectroscopy, 2001-12, Vol.210 (2), p.290-291

2001

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Internal Coordinate Formulation for Vibration-Rotation Energies of Polyatomic Molecules

Journal of molecular spectroscopy, 1998-02, Vol.187 (2), p.179-180

Quade, CR

1998

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Microwave Torsional–Rotational Spectra of gauche CH3CD2OH and CH3CD2OD

Journal of molecular spectroscopy, 2000-01, Vol.199 (1), p.34-39

2000

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The Potential Energy Coefficients for Internal Rotation in CH(2)DSH and CHD(2)SH

Journal of molecular spectroscopy, 2001-01, Vol.205 (1), p.81-85

2001

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Microwave Torsional-Rotational Spectra of gauche CH(3)CD(2)OH and CH(3)CD(2)OD

Journal of molecular spectroscopy, 2000-01, Vol.199 (1), p.34-39

2000

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The Potential Energy Coefficients for Internal Rotation in CH2DSH and CHD2SH

Journal of molecular spectroscopy, 2001-01, Vol.205 (1), p.81-85

2001

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A Note on the Torsional Assignment of the a-Dipole Rotational Spectra for Excited States of CH2DSH and CHD2SH

Journal of molecular spectroscopy, 2001-05, Vol.207 (1), p.121-122

2001

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Microwave a-Dipole Transitions of CH2DOH and CHD2OH in Excited Torsional States

Journal of molecular spectroscopy, 1998-12, Vol.192 (2), p.378-385

1998

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Microwave Spectra of gauche CH2DCH2OH Including Excited States of the -OH Torsion

Journal of molecular spectroscopy, 1998-03, Vol.188 (1), p.1-8

1998

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An IAM Calculation of the Torsional–Rotational Term Values for Three Isotopic Species of Ethyl Mercaptan

Journal of molecular spectroscopy, 2000-06, Vol.201 (2), p.321-322

2000

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An internal axis approach for the internal rotation problem in asymmetric-asymmetric molecules: Theoretical formulation

Journal of molecular spectroscopy, 1991-04, Vol.146 (2), p.238-251

1991

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An IAM Calculation of the Torsional–Rotational Term Values for Selected Species of –OH and –OD Ethyl Alcohol

Journal of molecular spectroscopy, 2000-06, Vol.201 (2), p.319-320

2000

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An internal axis approach for the internal rotation problem in asymmetric-asymmetric molecules: application to the microwave torsional-rotational spectra of CH2DOH and CHD2OH

Journal of molecular spectroscopy, 1991-04, Vol.146 (2), p.252-263

1991

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Observation of Tunneling States within the Two Conformations of Hydroxyl gauche, Methyl Asymmetric CH2DCH2OH

Journal of molecular spectroscopy, 1998-03, Vol.188 (1), p.9-13

1998

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Internal coordinate formulation for the vibration–rotation energies of polyatomic molecules

The Journal of chemical physics, 1976-01, Vol.64 (7), p.2783-2795

Quade, C. Richard

1976

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Calculation of the tau dependence of the vibration-internal rotation-overall rotation interactions in CH3OH from molecular structure and molecular dynamics

Recalculation of the torsional coefficient F(3) for CH3OH after reduction of lower symmetry terms to cos3τ dependence

Vibration–internal rotation–overall rotation interactions in CH3OH. II. Vibration introduced τ-dependence to the reduced kinetic energy coefficient for internal rotation

A Note on Internal Rotation–Rotation Interactions in Ethyl Alcohol

Vibration-Internal Rotation-Overall Rotation Interactions in CH(2)DOH and CHD(2)OH

The dynamic Jahn–Teller effect applied to the temperature-dependent paramagnetic susceptibilities of Ti3+:Al2O3

Vibration–Internal Rotation–Overall Rotation Interactions in CH2DOH and CHD2OH: I. Development and Application of the Separation Transformations to the Zeroth-Order Kinetic Energy

Curvilinear Coordinate Formulation for Vibration–Rotation–Large Amplitude Internal Motion Interactions. III. A Note on the T Transformation for Nonprincipal Axis Systems

Internal Coordinate Formulation for Vibration–Rotation Energies of Polyatomic Molecules: V. Zeroth-Order Separation for Non-Principal Axis Systems

Vibration-Internal Rotation-Overall Rotation Interactions in CH3OH

The Internal Rotation Potential Energy Coefficients for CH2DNH2 and CH2DCHO

Internal Coordinate Formulation for Vibration-Rotation Energies of Polyatomic Molecules

Microwave Torsional–Rotational Spectra of gauche CH3CD2OH and CH3CD2OD

The Potential Energy Coefficients for Internal Rotation in CH(2)DSH and CHD(2)SH

Microwave Torsional-Rotational Spectra of gauche CH(3)CD(2)OH and CH(3)CD(2)OD

The Potential Energy Coefficients for Internal Rotation in CH2DSH and CHD2SH

A Note on the Torsional Assignment of the a-Dipole Rotational Spectra for Excited States of CH2DSH and CHD2SH

Microwave a-Dipole Transitions of CH2DOH and CHD2OH in Excited Torsional States

Microwave Spectra of gauche CH2DCH2OH Including Excited States of the -OH Torsion

An IAM Calculation of the Torsional–Rotational Term Values for Three Isotopic Species of Ethyl Mercaptan

An internal axis approach for the internal rotation problem in asymmetric-asymmetric molecules: Theoretical formulation

An IAM Calculation of the Torsional–Rotational Term Values for Selected Species of –OH and –OD Ethyl Alcohol

An internal axis approach for the internal rotation problem in asymmetric-asymmetric molecules: application to the microwave torsional-rotational spectra of CH2DOH and CHD2OH

Observation of Tunneling States within the Two Conformations of Hydroxyl gauche, Methyl Asymmetric CH2DCH2OH

Internal coordinate formulation for the vibration–rotation energies of polyatomic molecules

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