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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Jan-2026	LLTgeom_F13_anglereference	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; def2-TZVP	-1174.39123877327484; Eh
	28-Jan-2026	LLTgeom_F11_anglereference	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; def2-TZVP	-1136.30723854734538; Eh
	28-Jan-2026	LLTgeom_F12_anglereference	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; def2-TZVP	-1177.81713955829082; Eh
	28-Jan-2026	LLTgeom_F10_anglereference	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; def2-TZVP	-1100.44186329403260; Eh
	28-Jan-2026	LLTgeom_F0_anglereference	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-svp; def2/J; def2-TZVP	-1061.13141823257797; Eh
	28-Jan-2026	LLT_TSEF9	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-svp; def2/J; def2-TZVP	-1153.29655478696213; Eh
	27-Jun-2025	streptomycin_CONF338_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2111.0632515; Eh
	27-Jun-2025	streptomycin_CONF315_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2111.0639249; Eh
	27-Jun-2025	streptomycin_CONF315_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2111.0742029; Eh
	27-Jun-2025	oxytetracycline_CONF12_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-1639.09231900; Eh

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