Hyper-chemistry: -valency, -bonds, -coordination and -data (FAIR).

DOI: 10.14469/hpc/3268 Metadata

Created: 2017-11-14 13:49

Last modified: 2018-03-03 10:26

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)


Hypercoordination and hypervalency in main group and group 1-2 elements, as characterized by Rydberg and non-Rydberg expansions. GDCh-Colloquium, Saarland University, Saarbrücken, January 8th, 2018

Member of collection / collaboration

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


10.14469/hpc/3381 Hyperbonds by Rydberg excitations
10.14469/hpc/3252 VSEPR Theory: Octet-busting or not with trimethyl chlorine, ClMe3.
10.14469/hpc/3442 Observation of hypervalent CLi6.
10.14469/hpc/3372 Expanded Rydberg-shell Hypervalency
10.14469/hpc/3316 FAIR data for Hypervalence and octet-expansion in trimethylene-λ6-sulfane and related species
10.14469/hpc/3333 FAIR data for Octet expansion and hypervalence in dimethylidyne-λ6-sulfane.
10.14469/hpc/3455 Ammonide: an alkalide formed from ammonia.
10.14469/hpc/3476 Molecules described in "A quantitative definition of hypervalency" by M. Durrant
10.14469/hpc/3352 Hypervalence and octet-expansion in sulfur hexafluoride.
10.14469/hpc/3364 Hexacoordinate carbon and pentacoordinate Nitrogen

Associated DOIs

Current dataset ...DOIDescription
References 10.1021/ic011003v Journal article: Chemical Bonding in Hypervalent Molecules:  Is the Octet Rule Relevant?
References 10.1021/ja00356a045 Journal article: Effectively hypervalent molecules. 2. Lithium carbide (CLi5), lithium carbide (CLi6), and the related effectively hypervalent first row molecules, CLi5-nHn and CLi6-nHn
References 10.1038/sdata.2016.18 Review: The FAIR Guiding Principles for scientific data management and stewardship
References 10.1039/c5sc02076j Journal article: A quantitative definition of hypervalency
References 10.1186/s13321-017-0190-6 Journal article: A metadata-driven approach to data repository design