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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Oct-2023	/Single_Point II_c5_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5779572; Eh
	30-Oct-2023	/Single_Point II_c6_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5777396; Eh
	30-Oct-2023	/Single_Point II_c7_SP	Sharma, Akhilesh Kumar	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	CC-PVTZ GENECP	-1124.5778872; Eh
	9-Oct-2023	/VO2_dist_222 VO2_dist_p-2-1	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Single point	DFT	-	-827.47384979; eV
	9-Oct-2023	/VO2_dist_222 VO2_dist_2-2	Benzidi, Hind	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Single point	DFT	-	-816.27284428; eV
	16-Feb-2023	/M_S_din6_as_c2_35/Co_S_din6_as_c2_35 rel_331	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-605.15576735; eV
	16-Feb-2023	/M_S_din6_as_c2_35/Co_S_din6_as_c2_35 rel_111	Minotaki, Maria	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-604.93592774; eV
	29-Jan-2024	Hf_Int0_OCH3	Garay Ruiz, Diego	ADF;	Geometry optimization	PBE	TZ2P	-
	29-Jan-2024	Hf_Int1_OCH3	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-
	29-Jan-2024	Zr_TS3_2O	Garay Ruiz, Diego	ADF;	Single point	PBE	TZ2P	-

Results 30161-30170 of 103542 (Search time: 0.017 seconds).