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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	A17	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-770.61277315869256; Eh
	28-Jan-2026	A18	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-675.51299560743189; Eh
	12-Jun-2025	/Bare_ion/O-prot/DFT_OptFreq Cyclopropylfentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1078.48108651; Eh
	12-Jun-2025	/Bare_ion/O-prot/DFT_OptFreq cis_Isofentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	DFT	def2-TZVP; def2/J	-1041.07824734; Eh
	12-Jun-2025	/Bare_ion/O-prot/DFT_OptFreq Crotonylfentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1078.49103763; Eh
	12-Jun-2025	/Bare_ion/O-prot/DFT_OptFreq Fentanyl_Oprot	Ieritano, Christian	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1040.40382283; Eh
	28-Jan-2026	B24	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-1215.82832428441225; Eh
	28-Jan-2026	B23	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-774.79273439526503; Eh
	28-Jan-2026	B4	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-878.61980357583855; Eh
	28-Jan-2026	B3	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-878.62326916417351; Eh

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