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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 REF5_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-273.93836483626177; Eh
	1-Oct-2025	/housane_references REF14_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-654.20519448603409; Eh
	29-Sep-2025	/bicycle_references REF7_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-313.19405141998936; Eh
	29-Sep-2025	/bicycle_references REF6_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-273.93476453164317; Eh
	1-Oct-2025	/housane_references REF11_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-651.05319111551648; Eh
	1-Oct-2025	/housane_references REF16_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-233.13931628309049; Eh
	29-Sep-2025	2av_MD_Initialization	Hölter, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-311++G(D,P)	-764.575414882; Eh
	1-Oct-2025	/housane_references REF10_opt	Hölter, Niklas	Orca; 6.1.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-760.53911557972651; Eh
	1-Oct-2025	/housane_references REF19_sp	Hölter, Niklas	Orca; 6.1.0; RELEASE	Single point Minimum	DFT	def2-QZVPPD; DEF2/J; CPCM(Acetonitrile)	-2574.44074003716651; Eh
	29-Sep-2025	TS-IIc_T1_irc	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; DEF2/J; CPCM(Acetonitrile)	-654.09565450135540; Eh

Results 41-50 of 106 (Search time: 0.001 seconds).