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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Sep-2018	/2_electrons/2_H+/Mo2O2S6H2 BB2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.90594271; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Re_Up_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.26226208; Eh
	19-Sep-2018	/2_electrons/1_H+/W2O2S8H C	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.22197713; Eh
	2-May-2019	INT3noa	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RB3LYP	-	-2756.80792841; Eh
	2-Aug-2018	MDsnap_trimer2_2580	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.89277059; eV
	7-Apr-2019	/Catalytic_cycle_1 I3Anti_Si_Up_Trans_1VDW_complex	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2278.25452910; Eh
	7-Apr-2019	/Catalytic_cycle_1 I4Anti_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-2278.26558687; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Si_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24037832; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Down_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24226991; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Si_Up_Trans_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.23990513; Eh

Results 24461-24470 of 104471 (Search time: 0.017 seconds).