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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Aug-2023	DyCp2	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def-SV(P)	-1664.735726287; Eh
	14-Aug-2023	allyl-anion	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-SV(P)	-117.2071443159; Eh
	14-Aug-2023	pyrazine	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-SV(P)	-264.1087499357; Eh
	14-Aug-2023	DyCp2-cation	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization TS	U-DFT	def2-TZVP; def-SV(P)	-1664.589117950; Eh
	14-Aug-2023	dimer1	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def-SV(P)	-3593.552183718; Eh
	14-Aug-2023	bridging-ligand	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-SV(P)	-381.3519796062; Eh
	14-Aug-2023	allyl-radical	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def-SV(P)	-117.1544312314; Eh
	24-Jul-2023	nd-et-mono	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P)	-2220.885785644; Eh
	24-Jul-2023	nd-et-dimer-dangling	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P)	-4441.761012917; Eh
	24-Jul-2023	u-tbut-dimer	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P); def-TZVP	-5216.032024083; Eh

Results 31-40 of 65 (Search time: 0.002 seconds).