Anomeric interactions at atom centres
DOI: 10.14469/hpc/1221 Metadata
Created: 2016-08-08 07:53
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
An NBO analysis of the system MeO-X-OMe, where X is in two series, XH2 = B,C,N,O,Al,Si,P,S and X = B,C,N,O,Al,Si,P,S at the wB97Xd/Def2-TZVPP level.
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/177 | Computation data for Henry Rzepa's blog |
Members
| DOI | Description |
|---|---|
| 10.14469/hpc/1220 | anomeric Si(2-) centre |
| 10.14469/hpc/1219 | anomeric P(-) centre |
| 10.14469/hpc/1218 | anomeric B(3-) centre |
| 10.14469/hpc/1222 | anomeric Al(3-) centre |
| 10.14469/hpc/1217 | anomeric C(2-) centre |
| 10.14469/hpc/1208 | anomeric SH2 centre |
| 10.14469/hpc/1207 | anomeric N centre |
| 10.14469/hpc/1215 | anomeric BH(2-) centre |
| 10.14469/hpc/1203 | anomeric S centre |
| 10.14469/hpc/1200 | anomeric O centre |
| 10.14469/hpc/1201 | anomeric SiH2 centre |
| 10.14469/hpc/1199 | Anomeric AlH2 centre |
| 10.14469/hpc/1198 | Anomeric PH2 centre |
| 10.14469/hpc/1195 | anomeric CH2 centre |
| 10.14469/hpc/1197 | anomeric NH2 centre |