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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
6-Dec-2023	tpssh	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.994153106; Eh
6-Dec-2023	tpss	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1027.046274146; Eh
6-Dec-2023	plus-0_10	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Restricted geometry optimization	U-DFT	def-TZVP; def2-TZVP	-1026.335871500; Eh
6-Dec-2023	minus-0_05	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Restricted geometry optimization	U-DFT	def-TZVP; def2-TZVP	-1026.336400552; Eh
6-Dec-2023	minus-0_10	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Restricted geometry optimization	U-DFT	def-TZVP; def2-TZVP	-1026.335778250; Eh
6-Dec-2023	plus-0_05	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Restricted geometry optimization	U-DFT	def-TZVP; def2-TZVP	-1026.336394729; Eh
6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.370911505; Eh
6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.368465425; Eh
6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-1026.337958590; Eh
6-Dec-2023	turbo	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-TZVP; def2-TZVP	-829.9372861487; Eh

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