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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_PPrelaxedguess_10	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	120.764619003; Eh
	28-Jan-2026	G1	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1101.06216817734025; Eh
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_PPrelaxedguess_12	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	-
	29-Jun-2025	Acrinathrin_CONF236_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.59127523; Eh
	29-Jun-2025	Acrinathrin_CONF221_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.59092679; Eh
	29-Jun-2025	Acrinathrin_CONF22_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58593651; Eh
	28-Jan-2026	SP_E0	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Single point	DFT	def2-TZVPPD; def2/J	-1061.71909621874624; Eh
	27-Jun-2025	streptomycin_CONF338_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2111.0739263; Eh
	27-Jun-2025	streptomycin_CONF320_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2111.0742052; Eh
	27-Jun-2025	streptomycin_CONF323_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-2110.94638230; Eh

Results 379691-379700 of 403438 (Search time: 0.193 seconds).