Published on 01 January 2024

Reactant, 360 rotation to explore conformations, Def2-TZVPP + Dispersion/DCM 4 degree steps, maxstep=10, Alternate dihedral, 12 15 16 21

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Rzepa, Henry

Description

No description available.

Citations (0)

Mentions (0)

Metrics

Dataset Index

1.1

FAIR Score

46%

Citations

0

Mentions

0

Metrics Over Time

Publication Details

DOI

Publisher

Imperial College London

Assigned Domain

Subfield

Geometry and Topology

Field

Mathematics

Domain

Physical Sciences

Confidence Score

34%

Source

Scholar Data Model

Keywords

-823.400723InChI=1S/C9H12OS/c1-11(2)10-8-9-6-4-3-5-7-9/h3-7H,1,8H2,2H3DGDMAZFEOJLLBP-UHFFFAOYSA-N

Normalization Factors

FT

13.46

CTw

1.00

MTw

1.00