Dispersion "bonds" not involving hydrogen?

DOI: 10.14469/hpc/2700 Metadata

Created: 2017-06-28 11:22

Last modified: 2017-07-01 16:40

Author: Henry Rzepa

Conquest search query for use with the CSD.

Files

FilenameSizeTypeDescription
non-bonded.qry 19KB application/octet-stream Conquest search query
spreadsheet.csv 46KB text/csv Spreadsheet of entries for non-bonded H...H distance < 1.5A.
HH.cif 3MB chemical/x-cif CIF file containing examples of H...H distances < 1.5A

Member of

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

Metadata

KeyValue
inchi InChI=1S/C8H10N3OSi.C3H3N2.C3H3.2C2H2.CH2.CH.Cl.O.5H/c1-3-9-4-2-6-11-8(9)10(5-1)7-12-13-11;1-5(2,3)4;1-3-2;2*1-2;;;;;;;;;/h1,5H,2-4,6H2;1H,2H2;1H,3H2;2*1-2H;1H2;1H;;;;;;;
inchikey JMQCKTIYMIKTKC-UHFFFAOYSA-N

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