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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Sep-2025	3D_4	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	UB3LYP	DEF2SVP	-3820.96651209; Eh
	28-Jan-2026	constrF15	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1359.52218181411104; Eh
	28-Jan-2026	constrF20	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1940.69477592880867; Eh
	28-Jan-2026	constrF19	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1450.85819463545477; Eh
	24-Jul-2025	/PFPeS/Pathway_VI/Product Pathway_VI_Product_CCSDT	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T); HFTyp; UHF	def2-TZVPP; def2-TZVPP/C	-1905.96753643245029; Eh
	29-Jun-2025	Bioallethrin_CONF203_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-965.7123095; Eh
	29-Jun-2025	Bioallethrin_CONF204_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-965.7123096; Eh
	24-Jul-2025	/PFPeS/Pathway_ACB/TS2 PathwayACB_TS2_CCSDT	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1905.88381208821102; Eh
	24-Jul-2025	/PFPeS/Pathway_III/TS2 Pathway_III_TS2_IRC	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP	-1912.62951139006123; Eh
	24-Jul-2025	/PFPeS/Pathway_IV/TS2 Pathway_IV_TS2_IRC	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP	-1912.64575910186636; Eh

Results 381141-381150 of 402241 (Search time: 0.195 seconds).