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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-PEtAm2Ph2 bis-PEtAm2Ph2_Ci_2_1	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Single point Structure	-	-	-1952.48890794; Eh
	6-Mar-2025	/Reactants AsPh3	Peñas-Defrutos, Marconi N.	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D) 6-31G(D,P) GEN	-2928.15410364; Eh
	24-Jun-2025	/bis-PEtAm2Ph2iPr4 bis-PEtAm2Ph2iPr4_PPrelaxedguess_13	Pye, Cory	Gaussian; 03; AM64L-G03RevD.02	Geometry optimization Minimum	UHF	3-21G	-63.02279994; Eh
	27-Jun-2025	kasugamycin_CONF13_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1390.7771506; Eh
	27-Jun-2025	blasticidin-S_CONF2_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	6-311+G(D,P)	-1478.63109370; Eh
	29-Jun-2025	Acrinathrin_CONF210_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58523646; Eh
	29-Jun-2025	Acrinathrin_CONF211_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58390459; Eh
	29-Jun-2025	Acrinathrin_CONF214_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.59105596; Eh
	29-Jun-2025	Acrinathrin_CONF237_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.58687821; Eh
	29-Jun-2025	Acrinathrin_CONF240_octanol	Alcamí, Manuel	Orca; 5.0.2; RELEASE	Single point	DFT	def2-TZVPP; def2/J; cpcm	-2033.59084085; Eh

Results 381051-381060 of 402241 (Search time: 0.23 seconds).