DOI: 10.14469/hpc/2700 Metadata

Created: 2017-06-28 11:22

Last modified: 2019-02-05 16:48

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Conquest search query for use with the CSD.

Files

Filename	Size	Type	Description
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 collection / collaboration

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

Subject Keywords

Keyword	Value
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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