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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	27-Jun-2025	streptomycin_CONF174_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2110.44353139; Eh
	27-Jun-2025	streptomycin_CONF338_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2110.49739807; Eh
	27-Jun-2025	streptomycin_CONF323_water	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2110.49742811; Eh
	29-Jun-2025	Acrinathrin_CONF258_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58823324; Eh
	29-Jun-2025	Acrinathrin_CONF255_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58760338; Eh
	28-Jan-2026	SP_TSFG16	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-TZVPPD; def2/J	-1212.26913518802576; Eh
	28-Jan-2026	SP_TSFG12	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-TZVPPD; def2/J	-1178.53329451155537; Eh
	28-Jan-2026	SP_TSEF9	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-TZVPPD; def2/J	-1153.99530112905427; Eh
	28-Jan-2026	SP_TSFG1	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-TZVPPD; def2/J	-1101.08156751960382; Eh
	29-Jun-2025	Acrinathrin_CONF143_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2034.0890138; Eh

Results 381741-381750 of 402241 (Search time: 0.267 seconds).