peracid epoxidation of propene, Def2-TZVPPD/DCM/M062X TS from ionic starting point, anti -421.929985 IRC

Rzepa, Henry

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Dataset Index

0.3

FAIR Score

46%

Citations

Mentions

DOI

Publisher

Imperial College London

License

Creative Commons: Public Domain Dedication 1.0

Subfield

Electrical and Electronic Engineering

Field

Engineering

Domain

Physical Sciences

Confidence Score

32%

Source

Scholar Data Model

InChI=1S/C3H6O.C2H4O2/c1-3-2-4-3;1-2(3)4/h3H,2H2,1H3;1H3,(H,3,4)/t3-;/m1./s1NEJQEIMTVCPOMA-AENDTGMFSA-N

44.23

CTw

1.00

MTw

1.00