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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_1340	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.53262548; eV
	2-Aug-2018	MDsnap_trimer2_1560	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.17020993; eV
	12-Feb-2019	ol-AuCd-0211	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-137.78093853; eV
	4-Jan-2022	/CH2OH_rotation_isomers/opt/Single_Points Ddoubleprime_syn_SP	Limburg, Bart	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	CC-PVTZ AUG-CC-PVTZ GENECP	-3101.1601433; Eh
	28-May-2022	/AuPd-CuPd-NiAl NiAl(100)-p(3x3)-Al-H	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-347.81875224; eV
	27-Jun-2023	SP_tsZ-F4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1819.3333069; Eh
	30-Sep-2021	/Water/TS_water ch3f-och2ch3-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-294.372399117; Eh
	8-Jun-2020	/2,4-TDA_to_MC1 2,4-TDA_diss_o	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	DFT	-	-1296.18389268; eV
	8-Jun-2020	/2,4-TDA_to_MC1 2,4-TDA_ads_o	Rellán, Marcos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1296.69154900; eV
	2-Aug-2018	MDsnap_trimer2_1520	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2224.94317271; eV

Results 3411-3420 of 104079 (Search time: 0.005 seconds).