Int-4
DOI: 10.14469/hpc/12130 Metadata
Created: 2022-12-23 13:48
Last modified: 2022-12-23 14:00
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
Int-4
Embargo
Access code: pee6-zcwr
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| Int-4.chk | 76MB | chemical/x-gaussian-checkpoint | |
| Int-4.com | 3KB | application/x-msdos-program | |
| Int-4.log | 1MB | chemical/x-gaussian-log |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/12036 | DFT computational data |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C15H15N2O.2C2H4O2.Cu/c1-15(2,13-8-4-3-5-9-13)17-11-12-7-6-10-16-14(12)18;2*1-2(3)4;/h3-8,10-11H,1-2H3,(H-,16,17,18);1H3,(H,3,4);3H,1H3;/q-1;;-1;+3/p-1 |
| inchikey | SPFSSELCAHSGLK-UHFFFAOYSA-M |