/low-field_CCS    Fenamiphos_sulfone_C1

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Fenamiphos_sulfone_protonate_1.inp	2.6 kB	Orca input file	Download
output.cml	724.41 kB	Chemical Markup Language	Download
Fenamiphos_sulfone_protonate_1.mout	30.63 kB	Text	Download

Referenced by:

Manuscript title: A Flexible, Automated Workflow for Collision Cross Section Calculations Utilizing MobCal-MPI

Journal: J. Am. Soc. Mass. Spectrom.

Metadata:

Title:	/low-field_CCS Fenamiphos_sulfone_C1
Authors:	Haack, Alexander Ieritano, Christian
Keywords:	Dataset for benchmarking MobCal-MPI-X
Issue Date:	9-Jun-2026
Publisher:	Barcelona Supercomputing Center
Abstract:	[M+H]+
URI:	https://iochem-bd.bsc.es/browse/handle/100/495160
Appears in Collections:	MobCal-MPI_X-Testsets - DOI: 10.19061/iochem-bd-6-668

Please use this identifier to cite or link to this item: https://iochem-bd.bsc.es/browse/handle/100/495160

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