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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	constrB3	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization	DFT	def2-tzvp(-f); def2/J	-878.62207379986580; Eh
	28-Jan-2026	constrB5	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization	DFT	def2-tzvp(-f); def2/J	-616.69707823716351; Eh
	28-Jan-2026	SP_C21	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1353.04161910267294; Eh
	28-Jan-2026	SP_C19	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1339.07143937030173; Eh
	28-Jan-2026	SP_C9	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1042.17523447647000; Eh
	28-Jan-2026	SP_C2	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1409.48510530559133; Eh
	28-Jan-2026	SP_C8	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1026.06935747568946; Eh
	28-Jan-2026	SP_C6	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-1064.46706461148710; Eh
	23-Jun-2025	/CHCl3/PhPz/IrH2CHCl3PhPzIMesPPh3 IrH2CHCl3PhPzIMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-3942.86964686; Eh
	23-Jun-2025	/CHCl3/PhPy/IrH2CHCl3PhPyIMesPPh3 IrH2CHCl3PhPyIMesPPh3	Nelson, David	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	6-311G(D,P) SDD GENECP	-3964.95531366; Eh

Results 381621-381630 of 402241 (Search time: 0.222 seconds).