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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Nov-2023	h2	Penas, Francesc	Gaussian; 16; EM64W-G16RevC.01	Single point Minimum	-	6-31G(D,P)	-1.17853935735; 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
	24-Jul-2023	small-nd-ipr-tetramer	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization	U-DFT	def2-TZVP; def2-SV(P)	-9823.912991336; Eh
	24-Jul-2023	u-ipr-mono	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P); def-TZVP	-2372.211155367; Eh
	24-Jul-2023	u-et-mono	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P); def-TZVP	-2136.414856388; Eh
	24-Jul-2023	nd-et-dimer	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P)	-4441.800115319; Eh
	24-Jul-2023	er-ipr-mono	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P)	-2910.843898849; Eh
	24-Jul-2023	nd-ph-mono	Vlaisavljevich, Bess	TURBOMOLE; 7.3	Geometry optimization Minimum	U-DFT	def2-TZVP; def2-SV(P)	-3134.992312371; Eh

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