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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Mar-2018	/Fragments-Freq HC4_q0_m2-6	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-152.763808107; Eh
	11-Mar-2018	/Fragments-Freq H2C3_q0_m3-4	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-115.273687510; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-16	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.634040952; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-13	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.711780932; Eh
	11-Mar-2018	/PES_dp furan_MIN20_dp	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	UB3LYP	-	-229.380380476; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-15	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.673487397; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-12	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.643922891; Eh
	11-Mar-2018	/Fragments-Freq H4C4_q0_m3-1	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point TS	UB3LYP	-	-154.651252382; Eh
	11-Mar-2018	/Fragments H4C4_q0_m3-13	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-154.711780932; Eh
	11-Mar-2018	/Fragments-Freq H2C2O_q0_m3-5	Alcami Pertejo, Manuel	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	-	-152.568894816; Eh

Results 41-50 of 289 (Search time: 0.0 seconds).