barriers to internal rotation Recently Published Documents

Barriers to internal rotation in methylimidazole isomers determined by rotational spectroscopy

The Journal of Chemical Physics ◽

10.1063/1.5119997 ◽

2019 ◽

Vol 151 (14) ◽

pp. 144301 ◽

Cited By ~ 3

Author(s):

Eva Gougoula ◽

Chris Medcraft ◽

Juliane Heitkämper ◽

Nicholas R. Walker

Keyword(s):

Internal Rotation ◽

Rotational Spectroscopy ◽

Ab initio study on the six lowest energy conformers of iso-octane: conformational stability, barriers to internal rotation, natural bond orbital and first-order hyperpolarizability analyses, UV and NMR predictions, spectral temperature sensitivity, and scaled vibrational assignment

Journal of Molecular Modeling ◽

10.1007/s00894-019-4105-5 ◽

2019 ◽

Vol 25 (8) ◽

Cited By ~ 2

Author(s):

Mouhi Eddine Hachim ◽

Karima Sadik ◽

Said Byadi ◽

Christian Van Alsenoy ◽

Aziz Aboulmouhajir

Keyword(s):

Ab Initio ◽

Internal Rotation ◽

Temperature Sensitivity ◽

Natural Bond Orbital ◽

Conformational Stability ◽

Vibrational Assignment ◽

Ab Initio Study ◽

First Order ◽

BARRIERS TO INTERNAL ROTATION IN STRUCTURAL ISOMERS OF METHYLIMIDAZOLE DETERMINED BY BROADBAND ROTATIONAL SPECTROSCOPY

Proceedings of the 74th International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2019.mi01 ◽

2019 ◽

Author(s):

Eva Gougoula ◽

Nick Walker ◽

Juliane Heitkï¾Šmper ◽

Chris Medcraft

Keyword(s):

Internal Rotation ◽

Rotational Spectroscopy ◽

Structural Isomers ◽

MICROWAVE SPECTRA, MOLECULAR GEOMETRIES AND BARRIERS TO INTERNAL ROTATION IN COMPLEXES OF Arï¿½C5H7N2 AND H2Oï¿½C5H7N2 (WHERE C5H7N2 IS 1-, 2-, 4- OR 5-METHYLIMIDAZOLE)

Proceedings of the 74th International Symposium on Molecular Spectroscopy ◽

10.15278/isms.2019.mh08 ◽

2019 ◽

Author(s):

Nick Walker ◽

Juliane Heitkï¿½mper ◽

Chris Medcraft ◽

Eva Gougoula

Keyword(s):

Internal Rotation ◽

Microwave Spectra ◽

The Barriers to Internal Rotation of Benzaldehyde and Benzoyl Fluoride: “Reconciliation” Between Theory and Experiment

The Journal of Physical Chemistry A ◽

10.1021/jp509602s ◽

2014 ◽

Vol 118 (44) ◽

pp. 10159-10165 ◽

Cited By ~ 11

Author(s):

Igor A. Godunov ◽

Vadim A. Bataev ◽

Alexander V. Abramenkov ◽

Vladimir I. Pupyshev

Keyword(s):

Internal Rotation ◽

Theory And Experiment

Molecular structure and barriers to internal rotation of α-naphthalenesulfonyl chloride: a study by gas-phase electron diffraction and quantum chemical calculations

Structural Chemistry ◽

10.1007/s11224-013-0265-6 ◽

2013 ◽

Vol 24 (3) ◽

pp. 819-826 ◽

Cited By ~ 6

Author(s):

Nina I. Giricheva ◽

Georgiy V. Girichev ◽

Marwan Dakkouri ◽

Sergey N. Ivanov ◽

Vjacheslav M. Petrov ◽

...

Keyword(s):

Molecular Structure ◽

Electron Diffraction ◽

Gas Phase ◽

Internal Rotation ◽

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Gas Phase Electron Diffraction

Microwave Spectra and Barriers to Internal Rotation ofZ- andE-1-Propenyl Isocyanide

The Journal of Physical Chemistry A ◽

10.1021/jp304227u ◽

2012 ◽

Vol 116 (35) ◽

pp. 8833-8839 ◽

Cited By ~ 4

Author(s):

Svein Samdal ◽

Harald Møllendal ◽

Jean-Claude Guillemin

Keyword(s):

Internal Rotation ◽

Microwave Spectra ◽

The r0 structural parameters, conformational stability, barriers to internal rotation, and vibrational assignments for trans and gauche ethanol

Journal of Molecular Structure ◽

10.1016/j.molstruc.2010.10.043 ◽

2011 ◽

Vol 985 (2-3) ◽

pp. 202-210 ◽

Cited By ~ 15

Author(s):

James R. Durig ◽

Hamoudeh Deeb ◽

Ikhlas D. Darkhalil ◽

Joshua J. Klaassen ◽

Todor K. Gounev ◽

...

Keyword(s):

Internal Rotation ◽

Structural Parameters ◽

Conformational Stability ◽

Vibrational Assignments ◽

R0 Structural Parameters

ChemInform Abstract: IR and Raman Spectra, Conformational Stability, Barriers to Internal Rotation, Normal-Coordinate Calculations, and Vibrational Assignment for Vinylsilyl Chloride.

ChemInform ◽

10.1002/chin.199121205 ◽

2010 ◽

Vol 22 (21) ◽

pp. no-no

Author(s):

J. R. DURIG ◽

J. F. SULLIVAN ◽

G. A. GUIRGIS ◽

M. A. QTAITAT

Keyword(s):

Internal Rotation ◽

Raman Spectra ◽

Conformational Stability ◽

Ir And Raman Spectra ◽

Vibrational Assignment ◽

Normal Coordinate ◽

Ir And Raman