DOI: 10.14469/hpc/14892 Metadata

Created: 2024-12-20 08:42

Last modified: 2024-12-20 08:50

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/14634	Borate-Catalysed Direct Amidation Reactions of Coordinating Substrates. Computational data

Members

DOI	Description
10.14469/hpc/14891	345-F-triphenoxylboroxine + 2-amino pyridine via amino N G = -2418.919464
10.14469/hpc/14887	345-F-triphenoxyboroxine G = -2115.201590 ==> -2115.200265
10.14469/hpc/14890	345-F triphenoxyborate + 2-aminopyridine via amino group G = -2143.110600
10.14469/hpc/14885	345-F-triphenoxylboroxine + 2-amino pyridine via Pyridine N G =-2418.935600
10.14469/hpc/14886	345-F-triphenoxyborate, G = -1839.396494 ==> -1839.396971
10.14469/hpc/14888	345-F triphenoxyborate + 2-aminopyridine via N-py G = -2143.130792

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