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Ashvar, C. S., Devlin, F. J., Stephens, P. J. (1999) Molecular Structure in Solution:  An ab Initio Vibrational Spectroscopy Study of Phenyloxirane. Journal Of The American Chemical Society, 121 (12) 2836-2849 doi:10.1021/ja983302y

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Reference TypeJournal (article/letter/editorial)
TitleMolecular Structure in Solution:  An ab Initio Vibrational Spectroscopy Study of Phenyloxirane
JournalJournal Of The American Chemical Society
AuthorsAshvar, C. S.Author
Devlin, F. J.Author
Stephens, P. J.Author
Year1999 (March)Volume121
Issue12
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja983302ySearch in ResearchGate
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Mindat Ref. ID1542870Long-form Identifiermindat:1:5:1542870:9
GUID0
Full ReferenceAshvar, C. S., Devlin, F. J., Stephens, P. J. (1999) Molecular Structure in Solution:  An ab Initio Vibrational Spectroscopy Study of Phenyloxirane. Journal Of The American Chemical Society, 121 (12) 2836-2849 doi:10.1021/ja983302y
Plain TextAshvar, C. S., Devlin, F. J., Stephens, P. J. (1999) Molecular Structure in Solution:  An ab Initio Vibrational Spectroscopy Study of Phenyloxirane. Journal Of The American Chemical Society, 121 (12) 2836-2849 doi:10.1021/ja983302y
In(1999, March) Journal Of The American Chemical Society Vol. 121 (12) American Chemical Society (ACS)

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Devlin, F. J., Stephens, P. J. (1999) Conformational Analysis Using ab Initio Vibrational Spectroscopy:  3-Methylcyclohexanone. Journal Of The American Chemical Society, 121 (32) 7413-7414 doi:10.1021/ja9910513
STEPHENS, P. J., ASHVAR, C. S., DEVLIN, F. J., CHEESEMANO, J. R., FRISCHO, M. J. (1996) Ab initio calculation of atomic axial tensors and vibrational rotational strengths using density functional theory. Molecular Physics, 89. 579-594 doi:10.1080/002689796173921
Bak, K. L., Devlin, F. J., Ashvar, C. S., Taylor, P. R., Frisch, M. J., Stephens, P. J. (1995) Ab Initio Calculation of Vibrational Circular Dichroism Spectra Using Gauge-Invariant Atomic Orbitals. The Journal of Physical Chemistry, 99 (41). 14918-14922 doi:10.1021/j100041a004
Ashvar, C. S., Devlin, F. J., Bak, K. L., Taylor, P. R., Stephens, P. J. (1996) Ab InitioCalculation of Vibrational Absorption and Circular Dichroism Spectra:  6,8-Dioxabicyclo[3.2.1]octane. The Journal of Physical Chemistry, 100 (22). 9262-9270 doi:10.1021/jp953738p
Devlin, F. J., Stephens, P. J. (1999) Ab Initio Density Functional Theory Study of the Structure and Vibrational Spectra of Cyclohexanone and its Isotopomers. The Journal of Physical Chemistry A, 103 (4). 527-538 doi:10.1021/jp983267h
Devlin, F. J., Stephens, P. J. (1994) Ab Initio Calculation of Vibrational Circular Dichroism Spectra of Chiral Natural Products Using MP2 Force Fields: Camphor. Journal Of The American Chemical Society, 116 (11) 5003-5004 doi:10.1021/ja00090a062
Urbanová, M., Setnička, V., Devlin, F. J., Stephens, P. J. (2005) Determination of Molecular Structure in Solution Using Vibrational Circular Dichroism Spectroscopy:  the Supramolecular Tetramer ofS -2,2‘-Dimethyl-Biphenyl-6,6‘-Dicarboxylic Acid. Journal Of The American Chemical Society, 127 (18) 6700-6711 doi:10.1021/ja050483c
Aamouche, A., Devlin, F. J., Stephens, P. J. (2000) Conformations of Chiral Molecules in Solution:  Ab Initio Vibrational Absorption and Circular Dichroism Studies of 4,4a,5,6,7,8-Hexahydro-4a-methyl-2(3H)-naphthalenone and 3,4,8,8a-Tetrahydro-8a-methyl-1,6(2H,7H)-naphthalenedione. Journal Of The American Chemical Society, 122 (30) 7358-7367 doi:10.1021/ja000522e
Ashvar, C. S., Devlin, F. J., Stephens, P. J., Bak, K. L., Eggimann, T., Wieser, H. (1998) Vibrational Absorption and Circular Dichroism of Mono- and Dimethyl Derivatives of 6,8-Dioxabicyclo[3.2.1]octane. The Journal of Physical Chemistry A, 102 (34). 6842-6857 doi:10.1021/jp981602w
Stephens, P. J., Devlin, F. J., Chabalowski, C. F., Frisch, M. J. (1994) Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields. The Journal of Physical Chemistry, 98 (45). 11623-11627 doi:10.1021/j100096a001
Stephens, P. J., Jalkanen, K. J., Devlin, F. J., Chabalowski, C. F. (1993) Ab initio calculation of vibrational circular dichroism spectra using accurate post-self-consistent-field force fields: trans-2,3-dideuteriooxirane. The Journal of Physical Chemistry, 97 (23). 6107-6110 doi:10.1021/j100125a003
 
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