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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/1_H+/Mo2O2S8H A1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.21016073; Eh
	19-Sep-2018	/2_electrons/1_H+/Mo2O2S8H C	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.18600081; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/II_F_Cpstar II_F_Cpstar	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1302.98609836; Eh
	2-May-2019	INT10_m06sp	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	RM062X	-	-3176.7634103; Eh
	2-Aug-2018	MDsnap_trimer2_2900	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.84549722; eV
	1-Sep-2023	TSCD-1a	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1455.8877376; Eh
	7-Apr-2019	/Catalytic_cycle_1 I3_Si_Down_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization Minimum	RM062X	-	-1473.66762024; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Anti_Si_Down_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.25714422; Eh
	19-Sep-2018	/2_electrons/2_H+/Mo2O2S6H2 BB3	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.90470703; Eh
	7-Apr-2019	/Catalytic_cycle_1 T4Syn_Si_Down_Cis_1	Fianchini, Mauro	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RM062X	-	-2278.24429473; Eh

Results 25931-25940 of 103928 (Search time: 0.014 seconds).