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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	4-Sep-2025	C2H6	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-79.7780585399; Eh
	4-Sep-2025	H2O	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-76.3660879367; Eh
	4-Sep-2025	CH4	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-40.4888128525; Eh
	4-Sep-2025	Cl_	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-460.202035921; Eh
	4-Sep-2025	CO2	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-188.444794294; Eh
	4-Sep-2025	CO	Ferreira da Costa, João Victor	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP	DEF2SVP	-113.220969314; Eh
	28-Jan-2026	constrF9	Garcia Padilla, Eduardo	Orca; 6.1.x; STABLE	Geometry optimization Minimum	DFT	def2-tzvp(-f); def2/J; def2-TZVP	-1153.98966631969074; Eh
	24-Jul-2025	/PFPeS/Pathway_III/Intermediate Pathway_III_Intermediate_CCSDT	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T); HFTyp; UHF	def2-TZVPP; def2-TZVPP/C	-1905.98442424823224; Eh
	24-Jul-2025	/PFPeS/Pathway_III/Product Pathway_III_Product_CCSDT	Lemmens, Shannon	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T); HFTyp; UHF	def2-TZVPP; def2-TZVPP/C	-1905.96878774060224; Eh
	29-Jun-2025	Bioallethrin_S_CONF234_octanol	Alcamí, Manuel	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-965.7123094; Eh

Results 379781-379790 of 403438 (Search time: 0.262 seconds).