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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Apr-2019	/Catalytic_cycle_4 scisECrotonaldehyde_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-230.949969665; Eh
	7-Apr-2019	/Catalytic_cycle_4 T_scis_strans_Crot	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-230.937033342; Eh
	7-Apr-2019	/Catalytic_cycle_4 T1_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1282.08706201; Eh
	7-Apr-2019	/Catalytic_cycle_4 I3_Si_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1282.12183137; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Anti_Si_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.05564517; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Si_Up_Trans_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-1858.04721738; Eh
	7-Apr-2019	/Catalytic_cycle_4 T4Syn_Si_Up_Cis_4	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM062X	-	-1858.07168128; Eh
	2-May-2019	INT5_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-3100.3195763; Eh
	2-May-2019	INT9_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-3100.3435903; Eh
	2-May-2019	TS2_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-3176.7293936; Eh

Results 24391-24400 of 104471 (Search time: 0.015 seconds).