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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Jul-2025	/PFPeS/Pathway_EF/Reactant PathwayEF_Reactant_CCSDT	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1905.97778630309813; Eh
	24-Jul-2025	/PFPeS/Pathway_EF/TS PathwayEF_TS_CCSDT	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1905.80876253179122; Eh
	24-Jul-2025	/PFPeS/Pathway_EF/Reactant PathwayEF_Reactant	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1912.76387208324991; Eh
	24-Jul-2025	/PFPeS/Pathway_EF/Product PathwayEF_Product	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1912.75894513109688; Eh
	24-Jul-2025	/PFPeS/Pathway_EF/TS PathwayEF_TS	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Geometry optimization TS	DFT	def2-TZVPP; def2/J	-1912.65500048251579; Eh
	24-Jul-2025	/PFPeS/Pathway_ACD/TS2 PathwayACD_TS2_IRC	Lemmens, Shannon	Orca; 6.0.1; RELEASE	Single point	DFT	def2-TZVP	-1912.70074103125648; Eh
	29-Jun-2025	Cyfluthrin_beta_CONF16_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2150.3041103; Eh
	29-Jun-2025	Cyfluthrin_beta_CONF35_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2150.3042491; Eh
	29-Jun-2025	Cyfluthrin_beta_CONF26_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2150.3052833; Eh
	29-Jun-2025	Cyfluthrin_CONF49_water	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2150.3189048; Eh

Results 381821-381830 of 402241 (Search time: 0.205 seconds).