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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Apr-2026	TS2MI	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2SVP	-3138.18293239; Eh
	28-Apr-2026	ts2MI	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2SVP	-3138.18293239; Eh
	12-Nov-2025	5b_S0_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J; CPCM(Toluene)	-1322.76302828681764; Eh
	12-Nov-2025	MECP-5b_Opt	Hölter, Niklas	Orca; 6.0.1; RELEASE	Geometry optimization	DFT	def2-SVP; def2/J; CPCM(Toluene)	-1321.94715316551742; Eh
	28-Apr-2026	TS3TM_PPh3	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-3884.82270096; Eh
	28-Apr-2026	TS3OA_DMSO	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-2442.27910457; Eh
	28-Apr-2026	TS3OA_P	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP	-2924.44897055; Eh
	28-Apr-2026	TS3TM	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	DEF2SVP	-2849.97033672; Eh
	28-Apr-2026	TS3OA’2	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-2924.44764170; Eh
	28-Apr-2026	TS3OA’	DeSnoo, William; Tantillo, Dean	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RPBE1PBE	DEF2SVP	-2924.44822129; Eh

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