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
View DatasetRzepa, Henry
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Metrics Over Time
Publication Details
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