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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 REF7_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-313.22767201524027; Eh
	1-Oct-2025	/housane_references REF15_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-3097.38188905895140; Eh
	1-Oct-2025	/housane_references REF18_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-233.66047858077945; Eh
	1-Oct-2025	/housane_references REF21_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-195.25977604528742; Eh
	29-Sep-2025	MECP-2a_conf1_mecpopt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-654.15718936049564; Eh
	29-Sep-2025	MECP-2a_conf_2_mecpopt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-654.15255505910341; Eh
	29-Sep-2025	TS-IId_T1_irc	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-654.09748311878036; Eh
	29-Sep-2025	/bicycle_references REF4_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-273.88473120643312; Eh
	29-Sep-2025	/bicycle_references REF2_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-234.61435864075307; Eh
	29-Sep-2025	/bicycle_references REF5_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-273.90960341855481; Eh

Results 31-40 of 106 (Search time: 0.001 seconds).