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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS agsn_o1_ms3	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-13719.71945919; Eh
	12-Oct-2022	pt6o9_supported_HSE06	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1247.98816354; eV
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS agin_ma2_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-13736.17134447; Eh
	12-Oct-2022	pt6o3_supported_HSE06	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1190.68538840; eV
	12-Oct-2022	pt6o12_supported_HSE06	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1270.96740204; eV
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS agag_rc1_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-13767.89279366; Eh
	12-Oct-2022	pt6o9_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-78.28550556; eV
	12-Oct-2022	pt6o8_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-73.94860939; eV
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS agag_o2_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-13727.47541697; Eh
	12-Oct-2022	pt6o4_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-49.69488657; eV

Results 1321-1330 of 4288 (Search time: 0.002 seconds).