DFT data: I and I-Ag+ isomers (trans/cis-B)
DOI: 10.14469/hpc/8749 Metadata
Created: 2021-08-18 14:38
Last modified: 2021-10-29 10:53
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Gaussian calculations for different isomers of I and I-ag+
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/8729 | Cation-Pi Interactions enabling Hard/Soft Ti/Ag Heterobimetallic Cooperativity in Lactide Ring-Opening Polymerisation |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/8751 | cisB-I |
| 10.14469/hpc/8753 | cisB-I-Ag+ |
| 10.14469/hpc/8755 | cisB-I-Ag+'' |
| 10.14469/hpc/8757 | cisB-I (M062X/def2-SVP) |
| 10.14469/hpc/8750 | trans-I |
| 10.14469/hpc/8752 | trans-I-Ag+ |
| 10.14469/hpc/8754 | cisB-I-Ag+' |
| 10.14469/hpc/8756 | trans-I (M062X/def2-SVP) |
| 10.14469/hpc/8758 | trans-I-Ag+ (M062X/def2-SVP) |
| 10.14469/hpc/8759 | cisB-I-Ag+ (M062X/def2-SVP) |
| 10.14469/hpc/8761 | cisB-I-Ag+'' (M062X/def2-SVP) |
| 10.14469/hpc/8760 | cisB-I-Ag+' (M062X/def2-SVP) |