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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 agin_o2_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-13770.67988477; Eh
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS agin_o1_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-13695.67924372; Eh
	12-Oct-2022	pt6o6_supported_HSE06	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1219.28072561; eV
	12-Oct-2022	pt6o11_supported_HSE06	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1263.78051385; eV
	12-Oct-2022	pt6o7_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-68.69325179; eV
	12-Oct-2022	pt6o3_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-42.95927601; eV
	16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS agag_ma2_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-13692.96791108; Eh
	12-Oct-2022	pt6o10_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-84.06070455; eV
	12-Oct-2022	pt3o1_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-15.62744369; eV
	12-Oct-2022	pt6o10_supported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-869.26356145; eV

Results 1291-1300 of 4288 (Search time: 0.002 seconds).