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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Aug-2018	MDsnap_trimer2_1320	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.53210919; eV
	2-Aug-2018	MDsnap_dimer1_4500	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.63997601; eV
	2-Aug-2018	MDsnap_dimer1_560	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.10268454; eV
	2-Aug-2018	MDsnap_dimer1_660	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2220.16301798; eV
	2-Aug-2018	MDsnap_trimer2_140	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2227.28387544; eV
	19-Sep-2018	/2_electrons/2_H+/Mo2O2S8H2 BB1	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.24524121; Eh
	19-Sep-2018	/2_electrons/2_H+/Mo2O2S6H2 BA2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-2.89259021; Eh
	19-Sep-2018	/2_electrons/2_H+/Mo2O2S8H2 BB2	Bandeira, Nuno	ADF; 2017	Geometry optimization Minimum	DFT	TZ2P	-3.21831672; Eh
	3-Oct-2019	dmf_dosmet240pf3newc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+G(D,P) SDD GEN	-4021.2451675; Eh
	3-Oct-2019	dmf_onemetBpPh3d	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+G(D,P) SDD GEN	-3775.5946419; Eh

Results 32121-32130 of 104079 (Search time: 0.019 seconds).