C2pTiS5 twist boat conformer G = -3227.124729 (-3227.141839 for chair) DG = +10.74 NBO7 NEDA TTotal Interaction (E) : -110.838

Fuente: Zenodo

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Bibliographic Details
Main Author:	Rzepa, Henry
Format:	Recurso digital
Published:	Zenodo 2026
Subjects:	InChI=1S/2C5H5.S5.Ti/c21-2-4-5-3-1;1-3-5-4-2;/h21-5H;; VDGLPQUIYSJBMB-UHFFFAOYSA-N
Online Access:	Acceder al recurso
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