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Buma, W. J., Van der Waals, J. H., Van Hemert, M. C. (1989) Conformational instability of the lowest triplet state of benzene: the result of ab initio calculations. Journal Of The American Chemical Society, 111 (1) 86-87 doi:10.1021/ja00183a015

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Reference TypeJournal (article/letter/editorial)
TitleConformational instability of the lowest triplet state of benzene: the result of ab initio calculations
JournalJournal Of The American Chemical Society
AuthorsBuma, W. J.Author
Van der Waals, J. H.Author
Van Hemert, M. C.Author
Year1989 (January)Volume111
Issue1
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00183a015Search in ResearchGate
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Mindat Ref. ID1431468Long-form Identifiermindat:1:5:1431468:5
GUID0
Full ReferenceBuma, W. J., Van der Waals, J. H., Van Hemert, M. C. (1989) Conformational instability of the lowest triplet state of benzene: the result of ab initio calculations. Journal Of The American Chemical Society, 111 (1) 86-87 doi:10.1021/ja00183a015
Plain TextBuma, W. J., Van der Waals, J. H., Van Hemert, M. C. (1989) Conformational instability of the lowest triplet state of benzene: the result of ab initio calculations. Journal Of The American Chemical Society, 111 (1) 86-87 doi:10.1021/ja00183a015
In(1989, January) Journal Of The American Chemical Society Vol. 111 (1) American Chemical Society (ACS)

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Buma, W. J., van der Waals, J. H., van Hemert, M. C. (1990) Conformational instability of the lowest triplet state of the benzene nucleus. I. The unsubstituted molecule. The Journal of Chemical Physics, 93 (6). 3733-3745 doi:10.1063/1.458809
Buma, W. J., van der Waals, J. H., van Hemert, M. C. (1990) Conformational instability of the lowest triplet state of the benzene nucleus. II. p‐Xylene, the influence of substituents. The Journal of Chemical Physics, 93 (6). 3746-3751 doi:10.1063/1.458761
Buma, W. J., Groenen, E. J. J., Van Hemert, M. C. (1990) Ab initio calculations on the structure of pyridine in its lowest triplet state. Journal Of The American Chemical Society, 112 (14) 5447-5451 doi:10.1021/ja00170a007
Szemik-Hojniak, A., Zwier, J. M., Buma, W. J., Bursi, R., van der Waals, J. H. (1998) Two Ground State Conformers of the Proton Sponge 1,8-Bis(dimethylamino)naphthalene Revealed by Fluorescence Spectroscopy and ab Initio Calculations. Journal Of The American Chemical Society, 120 (19) 4840-4844 doi:10.1021/ja974245w
van Gastel, M., Coremans, J. W. A., Sommerdijk, H., van Hemert, M. C., Groenen, E. J. J. (2002) An ab Initio Quantum-Chemical Study of the Blue-Copper Site of Azurin. Journal Of The American Chemical Society, 124 (9) 2035-2041 doi:10.1021/ja0028166
Buma, W. J., Donckers, M. C. J. M., Groenen, E. J. J. (1992) Ab initio calculations on vibronic coupling in the lower triplet states of pyrimidine. Journal Of The American Chemical Society, 114 (24) 9544-9551 doi:10.1021/ja00050a038
Ros, Marianne, Groenen, Edgar J. J., Van Hemert, Marc C. (1992) The ab initio calculations on the lower excited states of short-chain polyenals. Journal Of The American Chemical Society, 114 (17) 6820-6827 doi:10.1021/ja00043a030
Vergragt, Ph. J., Van Der Waals, J.H. (1977) Instability of the lowest triplet state of benzene under environmental perturbations : zero-field splitting and radiative properties of the spin components. Molecular Physics, 33. 1507-1521 doi:10.1080/00268977700101281
Hobza, P., Bludský, O., Selzle, H. L., Schlag, E. W. (1993) Ground state potential surface for van der Waals complexes: Ab initio second‐order Mo/ller–Plesset study on benzene..N2 van der Waals molecule. The Journal of Chemical Physics, 98 (8). 6223-6226 doi:10.1063/1.464815
Popelier, P., Lenstra, A. T. H., Van Alsenoy, C., Geise, H. J. (1989) An ab-initio study of crystal field effects: solid-state and gas-phase geometry of acetamide. Journal Of The American Chemical Society, 111 (15) 5658-5660 doi:10.1021/ja00197a023
Park, Jinwoo, Yu, Byung Deok, Hong, Suklyun (2011) Ab initio Calculations with van der Waals Corrections: Benzene-benzene Intermolecular Case and Graphite. Journal of the Korean Physical Society, 59 (1). 196-199 doi:10.3938/jkps.59.196
 
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