Anomeric interactions at atom centres

DOI: 10.14469/hpc/1221 Metadata

Created: 2016-08-08 07:53

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)


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

10.14469/hpc/177 Computation data for Henry Rzepa's blog


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