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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	B5	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J	-616.69681902007846; Eh
	12-Jun-2025	/Microsolvation Furanylfentanyl_Oprot_H2O_1	Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization; Geometry optimization Minimum; Single point	DFT	def2-TZVPP; def2/J	-1266.68459379698675; -1266.68462392433958; -1259.46384623699078; Eh; Eh; Eh
	12-Jun-2025	/Microsolvation Furanylfentanyl_Oprot_H2O_3	Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization; Geometry optimization Minimum; Single point	DFT	def2-TZVPP; def2/J	-1419.57742479233480; -1419.58658203483333; -1411.60922083647301; Eh; Eh; Eh
	12-Jun-2025	/Microsolvation Furanylfentanyl_Oprot_H2O_0	Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization; Geometry optimization Minimum; Single point	DFT	def2-TZVPP; def2/J	-1190.23069601777252; -1190.23069624315394; -1183.37972993655831; Eh; Eh; Eh
	12-Jun-2025	/Microsolvation Furanylfentanyl_Oprot_H2O_2	Ieritano, Christian	Orca; 6.0.1; RELEASE	Geometry optimization; Geometry optimization Minimum; Single point	DFT	def2-TZVPP; def2/J	-1343.13563169729446; -1343.13601828419405; -1335.53519738766317; Eh; Eh; Eh
	28-Jan-2026	SP_A23	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-774.80844975184687; Eh
	28-Jan-2026	SP_A22	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-tzvppd; def2/J	-753.03251648947128; Eh
	29-Jun-2025	Acrinathrin_CONF166_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58797752; Eh
	29-Jun-2025	Acrinathrin_CONF174_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58994688; Eh
	29-Jun-2025	Acrinathrin_CONF17_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58652966; Eh

Results 381511-381520 of 402248 (Search time: 0.211 seconds).