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Soliman, U. A. (2016) Vibrational analysis, conformational stability, force constants, internal rotation barriers, MP2=full and DFT calculations of 1,3-dimethyluracil tautomers. Journal of Structural Chemistry, 57 (1) 76-89 doi:10.1134/s0022476616010091

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Reference TypeJournal (article/letter/editorial)
TitleVibrational analysis, conformational stability, force constants, internal rotation barriers, MP2=full and DFT calculations of 1,3-dimethyluracil tautomers
JournalJournal of Structural Chemistry
AuthorsSoliman, U. A.Author
Year2016 (January)Volume57
Issue1
PublisherPleiades Publishing Ltd
DOIdoi:10.1134/s0022476616010091Search in ResearchGate
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Mindat Ref. ID13888975Long-form Identifiermindat:1:5:13888975:5
GUID0
Full ReferenceSoliman, U. A. (2016) Vibrational analysis, conformational stability, force constants, internal rotation barriers, MP2=full and DFT calculations of 1,3-dimethyluracil tautomers. Journal of Structural Chemistry, 57 (1) 76-89 doi:10.1134/s0022476616010091
Plain TextSoliman, U. A. (2016) Vibrational analysis, conformational stability, force constants, internal rotation barriers, MP2=full and DFT calculations of 1,3-dimethyluracil tautomers. Journal of Structural Chemistry, 57 (1) 76-89 doi:10.1134/s0022476616010091
In(2016, January) Journal of Structural Chemistry Vol. 57 (1) Springer Science and Business Media LLC

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Mohamed, Tarek A., Abo Aly, Mohamed M. (2004) Vibrational analysis, conformational stability, force constants, barriers to internal rotations, RHF, MP2 and DFT calculations oftrans,trans-2,4-hexadiene. Journal of Raman Spectroscopy, 35 (10). 869-878 doi:10.1002/jrs.1227
Mohamed, Tarek A., Shaaban, Ibrahim A., Soliman, Usama A, Wilson, Lee D. (2016) Computational (DFT and MP2) and spectral interpretations, normal coordinate analysis, force constants and barriers to internal rotations of Trimethylacetonitrile. Journal of Theoretical and Computational Chemistry, 15. 1650034pp. doi:10.1142/s0219633616500346
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Durig, J.R., Tang, Q., Phan, H.V. (1994) Conformational stability, barriers to internal rotation, ab initio calculations and vibrational assignment of methyl propargyl ether. Journal of Molecular Structure, 320. 193-216 doi:10.1016/0022-2860(93)08014-u
Durig, J.R., Guirgis, Gamil A., Badejo, Ibraheem, Davis, J.F. (1995) Conformational stability, barriers to internal rotation, vibrational assignment, structural parameters, and ab initio calculations of oxalyl chlorofluoride. Journal of Molecular Structure, 354 (1) 15-28 doi:10.1016/0022-2860(95)08815-d
Durig, J. R., Zhao, Wenyun, Lewis, Durig, Little, T. S. (1988) Conformational stability, barriers to internal rotation, vibrational assignment, and ab initio calculations of chloroacetyl fluoride. The Journal of Chemical Physics, 89 (3). 1285-1296 doi:10.1063/1.455718
Durig, James R., Yu, Zhenhong, Guirgis, Gamil A. (2000) Raman and Infrared Spectra, Conformational Stability, Barriers To Internal Rotation, Normal Coordinate Analysis, Vibrational Assignment, and ab Initio Calculations of 3,3-Difluoropropene. The Journal of Physical Chemistry A, 104 (4). 741-751 doi:10.1021/jp992560u
Durig, J.R., Guirgis, G.A., Phan, H.V. (1991) Far-infrared spectrum, conformational stability, barriers to internal rotation, ab initio calculations, and vibrational assignment of propionyl bromide. Journal of Molecular Structure, 244. 139-164 doi:10.1016/0022-2860(91)80153-u
Durig, J.R., Hardin, J.A., Tolley, C.L. (1990) Conformational analysis, barriers to internal rotation, ab initio calculations and vibrational assignment for 1,1-dichloroacetone. Journal of Molecular Structure, 224. 323-343 doi:10.1016/0022-2860(90)87027-u
Durig, J. R., Costner, T. G., Little, T. S., Durig, D. T. (1992) Infrared and Raman spectra, conformational analysis, barriers to internal rotation, vibrational assignment, and ab initio calculations of trans-1,3-dichloropropene. The Journal of Physical Chemistry, 96 (18). 7194-7202 doi:10.1021/j100197a014
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