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N3-O≡MoS4 G = -2255.214133 + ⅛S8= -398.16539925 = -2,653.37953225 => Triplet G = -2255.180966

Name: N3-O≡MoS4 G = -2255.214133 + ⅛S8= -398.16539925 = -2,653.37953225 => Triplet G = -2255.180966
Published: 2026-05-02
License: cc-zero
Keywords: -2255.180966, InChI=1S/C9H21N3.Mo.O.H2S4/c1-10-4-6-11(2)8-9-12(3)7-5-10;;;1-3-4-2/h4-9H2,1-3H3;;;1-2H/q;+2;;/p-2, SCKOEEGQZOHVET-UHFFFAOYSA-L

-2255.180966 InChI=1S/C9H21N3.Mo.O.H2S4/c1-10-4-6-11(2)8-9-12(3)7-5-10 1-3-4-2/h4-9H2 1-3H3 1-2H/q

Gaussian 16 (C01) calculation

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CreatorRzepa, Henry

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Published2026-05-02

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DOI10.5281/zenodo.19970677

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Downloads18

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Licensecc-zero

File Size135.7 MB

Data TypeDataset

Published2026

Licensecc-zero

Total Views22

Total Downloads18

Gaussian 16 (C01) calculation

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N3-O≡MoS4 G = -2255.214133 + ⅛S8= -398.16539925 =… (Full Dataset)135.7 MB

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ReadmeVia DOI record

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Files are hosted on the source repository. Click download to access the full dataset.

Rzepa, Henry (2026). N3-O≡MoS4 G = -2255.214133 + ⅛S8= -398.16539925 = -2,653.37953225 => Triplet G = -2255.180966. https://doi.org/10.5281/zenodo.19970677

N3-O≡MoS4 G = -2255.214133 + ⅛S8= -398.16539925 = -2,653.37953225 => Triplet G = -2255.180966

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