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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	12-Oct-2022	pt3o0_supported_HSE06	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-1141.10025124; eV
	12-Oct-2022	pt6o12_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-95.47086825; eV
	12-Oct-2022	pt6o0_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-21.94000032; eV
	12-Oct-2022	pt3o0_unsupported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-8.86149326; eV
	12-Oct-2022	pt6o5_supported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-840.88407106; eV
	12-Oct-2022	pt6o6_supported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-846.31800057; eV
	12-Oct-2022	pt6o12_supported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-878.00921560; eV
	12-Oct-2022	pt6o11_supported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-874.24630665; eV
	12-Oct-2022	pt3o3_supported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-812.36139089; eV
	12-Oct-2022	pt3o2_supported_PW91	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Jul 24 2015 13:42:16) gamma-only	Geometry optimization	DFT	-	-807.00688707; eV

Results 51-60 of 60 (Search time: 0.001 seconds).