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Liao, D. W., Mebel, A. M., Hayashi, M., Shiu, Y. J., Chen, Y. T., Lin, S. H. (1999) Ab initio study of the n-π* electronic transition in acetone: Symmetry-forbidden vibronic spectra. The Journal of Chemical Physics, 111 (1). 205-215 doi:10.1063/1.479285

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Reference TypeJournal (article/letter/editorial)
TitleAb initio study of the n-π* electronic transition in acetone: Symmetry-forbidden vibronic spectra
JournalThe Journal of Chemical Physics
AuthorsLiao, D. W.Author
Mebel, A. M.Author
Hayashi, M.Author
Shiu, Y. J.Author
Chen, Y. T.Author
Lin, S. H.Author
Year1999 (July)Volume111
Issue1
PublisherAIP Publishing
DOIdoi:10.1063/1.479285Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID2247170Long-form Identifiermindat:1:5:2247170:9
GUID0
Full ReferenceLiao, D. W., Mebel, A. M., Hayashi, M., Shiu, Y. J., Chen, Y. T., Lin, S. H. (1999) Ab initio study of the n-π* electronic transition in acetone: Symmetry-forbidden vibronic spectra. The Journal of Chemical Physics, 111 (1). 205-215 doi:10.1063/1.479285
Plain TextLiao, D. W., Mebel, A. M., Hayashi, M., Shiu, Y. J., Chen, Y. T., Lin, S. H. (1999) Ab initio study of the n-π* electronic transition in acetone: Symmetry-forbidden vibronic spectra. The Journal of Chemical Physics, 111 (1). 205-215 doi:10.1063/1.479285
In(1999, July) The Journal of Chemical Physics Vol. 111 (1) AIP Publishing

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Shiu, Y. J., Hayashi, M., Mebel, A. M., Chen, Yit-Tsong, Lin, S. H. (2001) Computational formulas for symmetry-forbidden vibronic spectra and their application to n–π* transition in neat acetone. The Journal of Chemical Physics, 115 (9). 4080-4094 doi:10.1063/1.1386918
Mebel, A.M., Hayashi, M., Lin, S.H. (1997) Ab initio calculations of vibronic coupling. Applications to symmetry-forbidden vibronic spectra and internal conversion in ethylene. Chemical Physics Letters, 274. 281-292 doi:10.1016/s0009-2614(97)00654-4
Mebel, Alexander M., Lin, Sheng-Hsien (1997) Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra. Chemical Physics, 215. 329-341 doi:10.1016/s0301-0104(96)00363-1
Mebel, A. M., Hayashi, M., Liang, K. K., Lin, S. H. (1999) Ab Initio Calculations of Vibronic Spectra and Dynamics for Small Polyatomic Molecules:  Role of Duschinsky Effect. The Journal of Physical Chemistry A, 103 (50). 10674-10690 doi:10.1021/jp992429m
Mebel, A. M., Lin, M. C., Chakraborty, D., Park, J., Lin, S. H., Lee, Y. T. (2001) Ab initio molecular orbital/Rice–Ramsperger–Kassel–Marcus theory study of multichannel rate constants for the unimolecular decomposition of benzene and the H+C6H5 reaction over the ground electronic state. The Journal of Chemical Physics, 114 (19). 8421-8435 doi:10.1063/1.1360201
Chen, J. M., Lee, J. M., Chou, T. L., Chen, S. A., Huang, S. W., Jeng, H. T., Lu, K. T., Chen, T. H., Liang, Y. C., Chen, S. W., Chuang, W. T., Sheu, H.-S., Hiraoka, N., Ishii, H., Tsuei, K. D., Huang, Eugene, Lin, C. M., Yang, T. J. (2010) Pressure-dependent electronic structures in multiferroic DyMnO3: A combined lifetime-broadening-suppressed x-ray absorption spectroscopy and ab initio electronic structure study. The Journal of Chemical Physics, 133 (15). 154510pp. doi:10.1063/1.3490400
Chang, A. H. H., Mebel, A. M., Yang, X.-M., Lin, S. H., Lee, Y. T. (1998) Ab initio/RRKM approach toward the understanding of ethylene photodissociation. The Journal of Chemical Physics, 109 (7). 2748-2761 doi:10.1063/1.476877
Kim, Gap-Sue, Mebel, Alexander M, Lin, Sheng H (2002) Ab initio study of excited electronic states and vibronic spectra of phenyl radical. Chemical Physics Letters, 361. 421-431 doi:10.1016/s0009-2614(02)00978-8
Dyakov, Y. A., Mebel, A. M., Lin, S. H., Lee, Y. T., Ni, C.-K. (2007) Photodissociation of 1,3,5-Triazine:  An Ab Initio and RRKM Study†. The Journal of Physical Chemistry A, 111 (38). 9591-9599 doi:10.1021/jp0740649
Hayashi, M., Mebel, A. M., Liang, K. K., Lin, S. H. (1998) Ab initio calculations of radiationless transitions between excited and ground singlet electronic states of ethylene. The Journal of Chemical Physics, 108 (5). 2044-2055 doi:10.1063/1.475584
Liao, Dai-Wei, Mebel, Alexander M., Chen, Yit-Tsong, Lin, Sheng-Hsien (1997) Theoretical Study of the Structure, Energetics, and the n−π* Electronic Transition of the Acetone +nH2O (n= 1−3) Complexes. The Journal of Physical Chemistry A, 101 (51). 9925-9934 doi:10.1021/jp972102q
 
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