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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	29-Jul-2021	Ta9O27_1H	Petrus, Enric	ADF; 2019	Geometry optimization	PBE	TZP	-12.85272739; Eh
	25-Jun-2024	/Intermediates/Pt/100 C8H10_4	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-388.43942466; eV
	4-Sep-2023	pbepbeSP_TSI4-5	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBEPBE	6-311+G(D,P) SDD GENECP	-1060.4474711; Eh
	25-Jun-2024	/Intermediates/Ag/110 HS_3	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	25-Jun-2024	/Intermediates/Zn/10m10 HO_1	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_0e/1H/Se4ring_1_B2 Se4ring_1_B2	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-2.74671113; Eh
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_0e/1H/O_site_4_A2 O_site_4_A2	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-2.74421329; Eh
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_0e/1H/Se2ring_B1 Se2ring_B1	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-2.75509674; Eh
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_0e/1H/O_site_2_A1 O_site_2_A1	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-2.74242220; Eh
	28-Feb-2022	/Mo2O2Se8/Mo2O2Se8_0e/0H 0H	Masaityté, Liudvika	ADF; 2017	Geometry optimization	PBE	TZ2P	-2.78453014; Eh

Results 59811-59820 of 104128 (Search time: 0.039 seconds).