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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Sep-2020	/Orca Ethylene_glycol	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-230.26890631; Eh
	11-Sep-2020	/Orca Glycolic_acid	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-304.35113715; Eh
	11-Sep-2020	/Orca H2O	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-76.44014128; Eh
	11-Sep-2020	/Orca TS1AbpyEXP	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-2012.18553934; Eh
	11-Sep-2020	/Orca TS1AEXP	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-2247.26255746; Eh
	11-Sep-2020	/Orca TS1Cbpy	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1476.98952852; Eh
	11-Sep-2020	/Orca TS1DEXP	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-2016.96560114; Eh
	11-Sep-2020	/Orca TS1D	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1481.76075062; Eh
	11-Sep-2020	/Orca TS2F	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1634.43079177; Eh
	11-Sep-2020	/Orca TS2Fbpy	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1629.64649967; Eh

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