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Lenz, Terry G., Vaughan, John D. (1990) Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene. Journal of Computational Chemistry, 11 (3). 351-360 doi:10.1002/jcc.540110310

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Reference TypeJournal (article/letter/editorial)
TitleForce field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene
JournalJournal of Computational Chemistry
AuthorsLenz, Terry G.Author
Vaughan, John D.Author
Year1990 (April)Volume11
Issue3
PublisherWiley
DOIdoi:10.1002/jcc.540110310Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID3145534Long-form Identifiermindat:1:5:3145534:1
GUID0
Full ReferenceLenz, Terry G., Vaughan, John D. (1990) Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene. Journal of Computational Chemistry, 11 (3). 351-360 doi:10.1002/jcc.540110310
Plain TextLenz, Terry G., Vaughan, John D. (1990) Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene. Journal of Computational Chemistry, 11 (3). 351-360 doi:10.1002/jcc.540110310
In(1990, April) Journal of Computational Chemistry Vol. 11 (3) Wiley

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Hirao, Hajime (2008) A reactive bond orbital investigation of the Diels-Alder reaction between 1,3-butadiene and ethylene: Energy decomposition, state correlation diagram, and electron density analyses. Journal of Computational Chemistry, 29 (9). 1399-1407 doi:10.1002/jcc.20899
Lenz, Terry G., Vaughan, John D. (1989) Employing force-field calculations to predict equilibrium constants and other thermodynamic properties for the dimerization of 1,3-cyclopentadiene. The Journal of Physical Chemistry, 93 (4). 1592-1596 doi:10.1021/j100341a081
Cui, Cheng-Xing, Liu, Ya-Jun (2014) A thorough understanding of the Diels-Alder reaction of 1,3-butadiene and ethylene. Journal of Physical Organic Chemistry, 27 (8). 652-660 doi:10.1002/poc.3313
Li, Yi, Houk, K. N. (1993) Diels-Alder dimerization of 1,3-butadiene: an ab initio CASSCF study of the concerted and stepwise mechanisms and butadiene-ethylene revisited. Journal Of The American Chemical Society, 115 (16) 7478-7485 doi:10.1021/ja00069a055
(2003) Further Understandings of Regio- and Stereoselectivity in the Diels-Alder Reaction: Diels-Alder Reaction of Allenic Ester with 4-(Bulky)alkyl-substituted 3-siloxy-1,3-butadiene. Bulletin of the Korean Chemical Society, 24. 13-14 doi:10.5012/bkcs.2003.24.1.013
Kar, Mangalya, Lenz, Terry G., Vaughan, John D. (1994) Thermodynamic molecular mechanics force field: Modified QCFF program. Journal of Computational Chemistry, 15 (11). 1254-1265 doi:10.1002/jcc.540151107
ORDELT, Z. (1973) ChemInform Abstract: A CONTRIBUTION TO PROBLEMS OF DIELS-ALDER REACTION OF PERCHLORO-1,3-BUTADIENE AND ITS DERIVATIVES. Chemischer Informationsdienst, 4 (38) doi:10.1002/chin.197338112
GROENEWOLD, G. S., GROSS, M. L. (1985) ChemInform Abstract: CATION RADICAL DIELS-ALDER REACTION OF 1,3-BUTADIENE: A TWO-STEP CYCLOADDITION. Chemischer Informationsdienst, 16 (9) doi:10.1002/chin.198509117
DE LUCCHI, O., MARCHIORO, G. (1986) ChemInform Abstract: Synthesis and Diels-Alder Reactions of 2,3-Bis(benzenethio)-1,3-butadiene. Chemischer Informationsdienst, 17 (1) doi:10.1002/chin.198601081
Huang, Chun-Huei, Tsai, Li-Chao, Hu, Wei-Ping (2001) Dual-Level Direct Dynamics Study on the Diels−Alder Reaction of Ethylene and 1,3-Butadiene. The Journal of Physical Chemistry A, 105 (43). 9945-9953 doi:10.1021/jp012740f
Kosugi, Hiroshi, Hoshino, Kunihide, Uda, Hisashi (1991) Simple Synthesis and the Diels–Alder Reaction of 3-(p-Tolylthio)-2-(trimethylsilyloxy)-1,3-butadiene. Chemistry Letters, 20 (9). 1577-1578 doi:10.1246/cl.1991.1577
 
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