10.14469/HPC/7786
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Imperial College London
Imperial College Research Computing Service
Henry Rzepa
0000-0002-8635-8390
Imperial College London
Gaussian Calculation
MPV 1, b3lyp+GD3BJ/3-21G, SCRF=THF, TS, G = -1548.478051 (epimer, G = -1548.473944, DG = 2.6)
Imperial College London
2021
2021-01-10 09:01:39.247073
2021-05-13 18:01:07.619211
https://data.hpc.imperial.ac.uk/resolve/?ore=7786
https://data.hpc.imperial.ac.uk/resolve/?doi=7786&file=1
https://data.hpc.imperial.ac.uk/resolve/?doi=7786&file=2
https://data.hpc.imperial.ac.uk/resolve/?doi=7786&file=3
https://data.hpc.imperial.ac.uk/resolve/?doi=7786&file=4
https://data.hpc.imperial.ac.uk/resolve/?doi=7786&file=5
10.14469/hpc/333
-1548.478051
InChI=1S/C13H16O.C11H17O.2C4H8O.Li/c1-2-12(14)13-6-9-3-10(7-13)5-11(4-9)8-13;12-7-11-4-8-1-9(5-11)3-10(2-8)6-11;2*1-2-4-5-3-1;/h1,9-11H,3-8H2;8-10H,1-7H2;2*1-4H2;/q-1;;;;+1/t9-,10+,11-,13-;8-,9+,10-,11-;;;
GZJDDGKRWRLAIT-ZBNVGVOSSA-N
Creative Commons: Public Domain Dedication 1.0
Results