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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Jun-2025	/Bare_ion/O-prot/TDDFT_VGFC cis_Isofentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	TDDFT	def2-TZVPP	-1040.40255482; Eh
	12-Jun-2025	/Bare_ion/O-prot/TDDFT_VGFC Crotonylfentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	TDDFT	def2-TZVPP	-1078.49103788; Eh
	12-Jun-2025	/Bare_ion/O-prot/TDDFT_VGFC Fentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Single point	TDDFT	def2-TZVPP	-1040.40382270; Eh
	28-Jan-2026	SP_A19	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-930.59245757783697; Eh
	28-Jan-2026	SP_A15	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-839.26664561474888; Eh
	28-Jan-2026	SP_A16	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-691.97704078916240; Eh
	28-Jan-2026	SP_A17	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-770.64104462722253; Eh
	28-Jan-2026	SP_A18	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-675.53860912429502; Eh
	27-Mar-2025	opt_freq_neutral_11	Renningholtz, Tim	Orca; 6.0.1; RELEASE	Geometry optimization Minimum; Single point	DFT	def2-tzvpd	-460.44110031699114; -460.46784205104598; Eh; Eh
	27-Mar-2025	opt_freq_anion_11	Renningholtz, Tim	Orca; 6.0.1; RELEASE	Geometry optimization Minimum; Single point	DFT	def2-tzvpd	-459.98381348975607; -460.01117899287675; Eh; Eh

Results 379491-379500 of 403438 (Search time: 0.23 seconds).