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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2025	4b_T1_Conf1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.47800065320621; Eh
	12-Nov-2025	3e_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1660.67629524267454; Eh
	12-Nov-2025	4e_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1660.68005144834456; Eh
	12-Nov-2025	3f_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1997.80690046889049; Eh
	12-Nov-2025	4f_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1997.81044321419245; Eh
	12-Nov-2025	Int-1_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.49985687966182; Eh
	12-Nov-2025	Int-2_dash3_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.46371461630451; Eh
	12-Nov-2025	TS-Int-2_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.45725803408573; Eh
	12-Nov-2025	TS-4f_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1997.74813581507419; Eh
	12-Nov-2025	TS-4e_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1660.61743616674016; Eh

Results 395811-395820 of 397032 (Search time: 0.241 seconds).