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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Nov-2025	Int-2_dash2_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.49265680254075; Eh
	12-Nov-2025	TS-Int-1_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.44866257903709; Eh
	12-Nov-2025	Int-2_dash1_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.49988843972801; Eh
	12-Nov-2025	TS-4b_S0_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.49387810200710; Eh
	12-Nov-2025	Int-2_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.49111653533214; Eh
	12-Nov-2025	MECP-4b_Confirmation_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point; Single point	DFT; DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene); def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.47524977854982; -1323.47357259397154; Eh; Eh
	12-Nov-2025	3f_DvTE_init	Hölter, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1996.69948472; Eh
	12-Nov-2025	3e_DvTE_init	Hölter, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1659.76142896; Eh
	12-Nov-2025	TS-Int-2_dash3_T1_Sp	Hölter, Niklas	Orca; 6.0.1; RELEASE	Single point	DFT	def2-QZVPPD; DEF2/J; CPCM(Toluene)	-1323.44782532470276; Eh
	12-Nov-2025	3b_DvTE_init	Hölter, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM062X	6-31G(D)	-1322.82349363; Eh

Results 395821-395830 of 397032 (Search time: 0.213 seconds).