Contains associated data, media files and figures from quantum chemistry computational studies on selected molecules and named reactions.
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51 to 60 of 586 Results
Article.doc
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
MS Word - 2.7 MB - MD5: e45506737f84ff8d542698cf8528762b
Edited article. CC-BY 4.0 (attribution required).
Article.pdf
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Adobe PDF - 1.0 MB - MD5: 26b5aa20576750c9f568ee044d336450
Edited article. CC-BY 4.0 (attribution required).
TS13point26.txt
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Plain Text - 1.6 MB - MD5: d9a50b34298b93f40739f3fed4ef1634
Path point 26 along the IRC (TS to product).
U14aDFT_31.txt
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Plain Text - 22.4 KB - MD5: 72e6f0d20db74d3399639e292ae96aa9
See file for details (= U14aDFT.31).
TS11a.39
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 469.1 KB - MD5: 754df78d35cae9e596a5bb7b128d6195
TS11a.40
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 461.6 KB - MD5: 9c25cb0701afb2174aba5b5c4b3a719f
TS11a.46
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 7.2 KB - MD5: 2b1e881c9dde952a34ccbf3cf59a1194
TS11a_CPs.txt
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Plain Text - 13.7 KB - MD5: 399e594af7f9153defbc9726025e4531
TS11_CPs.txt
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Plain Text - 7.3 KB - MD5: 96c044bcbd1f318a5dba72685d61b994
TS11point7_CPs.txt
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Plain Text - 7.3 KB - MD5: a5944ac9a0a9661479d739bd0d80e2f6
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