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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jun-2025	Allethrin_CONF5_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-965.6904669; Eh
	28-Jan-2026	TSEF4	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1398.88510417606562; Eh
	28-Jan-2026	TSEF9	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1153.96763760040653; Eh
	28-Jan-2026	TSEF8	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1137.86738385943045; Eh
	28-Jan-2026	TSEF7	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1139.12738000552417; Eh
	28-Jan-2026	TSEF5	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1136.93790986145973; Eh
	28-Jan-2026	TSEF6	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization TS	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1176.26645438169112; Eh
	29-Jun-2025	Alphacypermethrin_CONF134_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2051.0564433; Eh
	29-Jun-2025	Alphacypermethrin_CONF595_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2051.034699; Eh
	29-Jun-2025	Alphacypermethrin_CONF43_gas	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2051.0358336; Eh

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