DFT Data as per Figure S32 showing different approach of the monomer

DOI: 10.14469/hpc/4989 Metadata

Created: 2019-02-05 17:28

Last modified: 2019-08-05 18:11

Author: Charles ROMAIN

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

DFT Data as per Figure S32 showing different approach of the monomer

Member of collection / collaboration

DOIDescription
10.14469/hpc/3716 Exploiting non-covalent interactions for room temperature heteroselectve rac-lactide polymerisation using aluminium catalysts

Members

DOIDescription
10.14469/hpc/4990 L-LA M06-2X
10.14469/hpc/4991 L-LA wB97xD
10.14469/hpc/4992 D-LA M06-2X
10.14469/hpc/4993 Veq: L-LA on the side, CH face
10.14469/hpc/4995 IVeq: L-LA on the side, CH face
10.14469/hpc/4998 IIIeq-TS: L-LA on the side, CH face
10.14469/hpc/5000 IIeq: L-LA on the side, CH face
10.14469/hpc/5006 D-LA wB97xD
10.14469/hpc/5008 VIeq-TS: L-LA on the side, CH face
10.14469/hpc/4994 VI'ax-TS : L-LA on top, flat face
10.14469/hpc/4996 V'ax: L-LA on top, flat face
10.14469/hpc/4997 IV'ax: L-LA on top, flat face
10.14469/hpc/5001 VI'eq-TS: L-LA on the side, flat face
10.14469/hpc/4999 III'ax-TS: L-LA on top, flat face
10.14469/hpc/5002 II'eq: L-LA on the side, CH face
10.14469/hpc/5007 III'eq-TS: L-LA on the side, CH face
10.14469/hpc/5005 II'ax : L-LA on top, flat face
10.14469/hpc/5004 IV'eq: L-LA on the side, CH face
10.14469/hpc/5003 V'eq: L-LA on the side, CH face

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