Geometric and energetic data from ab initio calculations of haloethene, haloimine, halomethylenephosphine, haloiminophosphine, halodiazene, halodiphosphene and halocyclopropane

This article presents theoretical data on geometric and energetic features of halogenated compounds of ethene (CC), imine (CN), methylenephosphine (CP), iminophosphine (NP), diazene (NN), diphosphene (PP) and cyclopropane (Δ). The data were obtained from ab initio geometric optimization and fr...

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Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Prif Awduron: Kridtin Chinsukserm, Wanutcha Lorpaiboon, Peerayar Teeraniramitr, Taweetham Limpanuparb
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Elsevier 2019-12-01
Cyfres:Data in Brief
Mynediad Ar-lein:http://www.sciencedirect.com/science/article/pii/S2352340919310935
Tagiau: Ychwanegu Tag
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