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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Feb-2021	/Methanol Carbonate	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-311G(D,P)	-670.537131025; Eh
	19-Jan-2022	/surface-strain Ni(100)-3x3-strained-10-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-362.38496864; eV
	19-Jan-2022	/surface-strain Ni(100)-3x3-strained-5-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-370.34733570; eV
	19-Jan-2022	/surface-strain Ni(100)-3x3-strained-3-OH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-372.93035825; eV
	28-May-2022	/CuAg Ag(711)-3x3-CH3	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-142.90535986; eV
	28-May-2022	/CuAg Ag(711)-3x3-CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-138.74684237; eV
	24-Jul-2020	Mo6O20_2H_BP	Petrus, Enric	ADF; 2019	Geometry optimization	BP86	TZP	-8.07022500; Eh
	24-Jul-2020	Mo3O10_1H_BP	Petrus, Enric	ADF; 2019	Geometry optimization	BP86	TZP	-4.02751854; Eh
	24-Jul-2020	H2Mo7O24	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-
	18-Feb-2021	/Methanol TS_Decomp	Garay Ruiz, Diego	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-311G(D,P)	-670.518325764; Eh

Results 18121-18130 of 103928 (Search time: 0.012 seconds).