DFT Data: NBO analysis

DOI: 10.14469/hpc/8744 Metadata

Created: 2021-08-18 11:24

Last modified: 2021-10-29 10:53

Author: Charles ROMAIN

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Log and fchk files used for NBO analysis using Gaussian and NBO6.0

Member of collection / collaboration

DOIDescription
10.14469/hpc/8729 Cation-Pi Interactions enabling Hard/Soft Ti/Ag Heterobimetallic Cooperativity in Lactide Ring-Opening Polymerisation

Members

DOIDescription
10.14469/hpc/8746 NBO analysis of II-Ag+
10.14469/hpc/8745 NBO analysis of I-Ag+
10.14469/hpc/8747 NBO analysis of I

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