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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_II/Reactant Pathway_II_Reactant_CCSDT	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T); HFTyp; UHF	def2-TZVPP; def2-TZVPP/C	-1905.97951075974606; Eh
	29-Jun-2025	Bioresmethrin_CONF10_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1080.0525108; Eh
	29-Jun-2025	Bioresmethrin_CONF2_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1080.0533258; Eh
	29-Jun-2025	Bioresmethrin_CONF6_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1080.0533259; Eh
	24-Jul-2025	/PFPeS/Pathway_II/Reactant Pathway_II_Reactant	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1912.76709307418650; Eh
	24-Jul-2025	/PFPeS/Pathway_II/Product Pathway_II_Product	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Geometry optimization Minimum	DFT	def2-TZVPP; def2/J	-1912.77673521626070; Eh
	24-Jul-2025	/PFPeS/Pathway_II/Intermediate Pathway_II_Intermediate	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Geometry optimization	DFT	def2-TZVPP; def2/J	-1912.63540163325774; Eh
	24-Jul-2025	/PFPeS/Pathway_II/TS2 Pathway_II_TS2	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Geometry optimization TS	DFT	def2-TZVPP; def2/J	-1912.59444023763308; Eh
	24-Jul-2025	/PFPeS/Pathway_II/TS1 Pathway_II_TS1	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Geometry optimization TS	DFT	def2-TZVPP; def2/J	-1912.59784800507373; Eh
	29-Jun-2025	Cycloprothrin_CONF6_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2280.0041684; Eh

Results 381151-381160 of 402241 (Search time: 0.231 seconds).