DOI: 10.14469/hpc/10738 Metadata

Created: 2022-07-28 16:07

Last modified: 2022-07-30 16:01

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Gaussian 16 calculations

Member of collection / collaboration

DOI	Description
10.14469/hpc/3883	Computational data for (±)-Polysiphenol and other Analogues via Symmetrical Intermolecular Dimerizations: a Synthetic, Spectroscopic, Structural and Computational Study

Members

DOI	Description
10.14469/hpc/10746	Dimethyl polysiphenol, Atropisomerisation Me-Me, TS, OH isomer, G = -919.702993
10.14469/hpc/10730	Dimethyl polysiphenol, Atropisomerisation Me-Me, TS, G = -919.703854, DG = 27.9 kcal/mol
10.14469/hpc/10753	Dimethyl polysiphenol, Atropisomerisation Me-Me, IRC
10.14469/hpc/10734	Dimethyl polysiphenol, Atropisomerisation Me-Me, ground state, G = -919.748382
10.14469/hpc/10744	Dimethyl polysiphenol, Atropisomerisation Me-Me, ground state, OH isomer, G = -919.746873

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