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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

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Reference TypeJournal (article/letter/editorial)
TitleAb initio calculations on vibronic coupling in the lower triplet states of pyrimidine
JournalJournal Of The American Chemical Society
AuthorsBuma, W. J.Author
Donckers, M. C. J. M.Author
Groenen, E. J. J.Author
Year1992 (November)Volume114
Issue24
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/ja00050a038Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID1462609Long-form Identifiermindat:1:5:1462609:4
GUID0
Full ReferenceBuma, 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
Plain TextBuma, 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
In(1992, November) Journal Of The American Chemical Society Vol. 114 (24) American Chemical Society (ACS)

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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
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
Donckers, M. C. J. M., Gorcester, J., Groenen, E. J. J., Schmidt, J. (1992) An electron–nuclear double resonance study of the lowest triplet state of pyrimidine. The Journal of Chemical Physics, 97 (1). 99-109 doi:10.1063/1.463529
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
Donckers, M. C. J. M., Schwencke, A. M., Groenen, E. J. J., Schmidt, J. (1992) An electron–nuclear double resonance study of the lowest triplet state of pyrazine. The Journal of Chemical Physics, 97 (1). 110-117 doi:10.1063/1.463609
Fort, Raymond C., Getty, Stephen J., Hrovat, David A., Lahti, Paul M., Borden, Weston Thatcher (1992) Ab initio calculations on m-quinone. The ground state is a triplet. Journal Of The American Chemical Society, 114 (19) 7549-7552 doi:10.1021/ja00045a031
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
Caldwell, Richard A., Jacobs, Lance D., Furlani, T. R., Nalley, E. Ann, Laboy, J. (1992) Conformationally dependent heavy atom effect of chlorine on alkene triplet lifetimes. Experimental and ab initio calculations. Journal Of The American Chemical Society, 114 (5) 1623-1625 doi:10.1021/ja00031a013
Köhler, J., Disselhorst, J. A. J. M., Donckers, M. C. J. M., Groenen, E. J. J., Schmidt, J., Moerner, W. E. (1993) Magnetic resonance of a single molecular spin. Nature, 363 (6426). 242-244 doi:10.1038/363242a0
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
Hrovat, David A., Waali, Edward E., Borden, Weston Thatcher (1992) Ab initio calculations of the singlet-triplet energy difference in phenylnitrene. Journal Of The American Chemical Society, 114 (22) 8698-8699 doi:10.1021/ja00048a052
 
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