Contains associated data, media files and figures from quantum chemistry computational studies on selected molecules and named reactions.
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61 to 70 of 586 Results
TS13.31
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 30.7 KB - MD5: 604ea8f31d97ece476b6e38bd837e322
TS13.37
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 1.5 MB - MD5: 4827bdb037ca37b81ff4c620a09e55f0
TS13.39
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 1.5 MB - MD5: 91322403cb5b79fe8d3a2ec0517140f3
TS13.40
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 1.5 MB - MD5: 9641d5918d91e7fc418dfdf2cb99223c
TS13.46
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 12.9 KB - MD5: 1881b8604704a62f7b8e5126b79a2866
TS13_CPs.txt
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Plain Text - 7.3 KB - MD5: ff3a9ba6cbfdca09c203cb0ce96a61c7
TS13.gif
TS13.gif
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
GIF Image - 299.8 KB - MD5: d18ff31fe6335ac5aa0f50c537e338f9
IRC at DFT B3LYP 6-311++G(d,p) level of theory. See Article for cycloadduct product-like structure.
TS13_NBO.txt
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Plain Text - 1.7 MB - MD5: 500219fef3a589d1fc6af83f14899b7e
TS14a.39
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 594.4 KB - MD5: 26da2d6b1e466a5da4479394e8a4f4fc
TS14a.46
May 31, 2019 - Theoretical studies involving two Diels-Alder reactions under solvent-free conditions
Unknown - 8.1 KB - MD5: 25c7f668258747431af2cc94d5599965
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