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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/AuPd-CuPd-NiAl Ni3Al(100)-p(3x3)-Ni-CO-CH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-401.49628355; eV
	4-Jan-2022	/protodemetalation/opt/Single_Points F_anti_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3928.4587545; Eh
	30-Sep-2021	/Water/TS_water ch3seh-nh2-ts_6311+Gd_ch2cl2_aq	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2498.09321038; Eh
	12-Apr-2021	TS_LL2_freq	Jover Modrego, Jesús	Gaussian; 09; ES64L-G09RevD.01	Single point Structure	UB3LYP	DEF2SVP	-11056.6848352; Eh
	13-Apr-2023	/hydride-formation-HC PdMLPt(111)-(3x3)-K-OH-CO-075-ML-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-238.93527792; eV
	6-Aug-2020	/freq/gasses CH2I2	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-18.53863968; eV
	26-Aug-2024	geom7_w9_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-687.9114119; Eh
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/III III_spbs	García, Cristina	Gaussian; 09	Single point Structure	RwB97XD	GENECP	-1007.4349457; Eh
	2-Aug-2018	MDsnap_trimer2_2860	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2223.66525843; eV
	2-Aug-2018	MDsnap_trimer3_1860	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.58260987; eV

Results 26721-26730 of 104508 (Search time: 0.018 seconds).