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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2025	TS-Int-2_dash2_T1_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.36808419510407; Eh
	12-Nov-2025	TS-Int-2_dash2_T1_IRC	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.36974574717124; Eh
	12-Nov-2025	5b_dash_S0_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.46710947301722; Eh
	12-Nov-2025	3b_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1323.32661504912971; Eh
	12-Nov-2025	5b_dash_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.54691747827974; Eh
	12-Nov-2025	5b_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.56944789511476; Eh
	12-Nov-2025	3b_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.55099704356962; Eh
	12-Nov-2025	4b_T1_Conf2_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.47895591014526; Eh
	12-Nov-2025	4b_S0_Conf2_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.55935318738875; Eh
	12-Nov-2025	4b_S0_Conf1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.55730316228687; Eh

Results 395801-395810 of 397032 (Search time: 0.216 seconds).