Molecules of the year 2023.

DOI: 10.14469/hpc/13532 Metadata

Created: 2023-12-28 08:53

Last modified: 2023-12-30 08:47

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

An analysis of some of the selected molecules of the year for 2023

Member of collection / collaboration

DOIDescription
10.14469/hpc/177 Computation data for Henry Rzepa's blog

Members

DOIDescription
10.14469/hpc/13529 HICBUU TS2 methylene rotation, G = -923.482714 DG = 9.2 IRC
10.14469/hpc/13527 HICBUU TS2 methylene rotation, G = -923.482714 DG = 9.2
10.14469/hpc/13531 NITRUH, G = -1817.961957
10.14469/hpc/13528 HICBUU TS G = -923.449570, DG = 30.0, IRC
10.14469/hpc/13526 HICBUU TS G = -923.449570, DG = 30.0
10.14469/hpc/13525 HICBUU
10.14469/hpc/13530 NITRUH 2+ G = -1817.500650
10.14469/hpc/13536 18-metallocene Sr

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