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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
11-Mar-2018	/PES_dp furan_TS22-f_dp	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UB3LYP	-	-229.372481086; Eh
11-Mar-2018	/PES_dp furan_TS21-22_dp	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UB3LYP	-	-229.393959313; Eh
11-Mar-2018	/Fragments C2_q0_m3-2	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-75.9381105604; Eh
11-Mar-2018	/PES_dp furan_TS20-21_dp	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization TS	UB3LYP	-	-229.305100339; Eh
11-Mar-2018	/PES_dp furan_TS20-f_dp	Alcami Pertejo, Manuel	Gaussian; 09; EM64L-G09RevE.01	Geometry optimization TS	UB3LYP	-	-229.327020881; Eh
11-Mar-2018	/PES_dp furan_MIN23_dp	Alcami Pertejo, Manuel	Gaussian; 09; AM64L-G09RevC.01	Geometry optimization Minimum	UB3LYP	-	-229.386161198; Eh
11-Mar-2018	/PES_dp furan_MIN24_dp	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	-	-229.400218964; Eh
11-Mar-2018	/PES_dp furan_MIN22_dp	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-229.400544635; Eh
11-Mar-2018	/PES_dp furan_MIN21_dp	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-229.398289389; Eh

Results 281-289 of 289 (Search time: 0.001 seconds).