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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Sep-2025	/bicycle_references REF2_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-234.58990721354243; Eh
	1-Oct-2025	/housane_references REF10_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-760.60533539701760; Eh
	1-Oct-2025	/housane_references REF12_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-109.53603643169781; Eh
	1-Oct-2025	/housane_references REF16_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-233.17241539129753; Eh
	1-Oct-2025	/housane_references REF21_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-195.28000761159103; Eh
	29-Sep-2025	/bicycle_references REF4_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-273.91428158555101; Eh
	29-Sep-2025	/bicycle_references REF9_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-313.21733562047581; Eh
	29-Sep-2025	/bicycle_references REF9_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-313.25031034917708; Eh
	29-Sep-2025	/bicycle_references REF8_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-313.25379058174406; Eh
	1-Oct-2025	/housane_references REF13_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-763.69061989285353; Eh

Results 51-60 of 106 (Search time: 0.001 seconds).