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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Jan-2023	/Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_26	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36532604; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_13	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36580158; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_29	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36787293; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_23	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1341.36173127; Eh
	9-Jan-2023	/Hum_Ag_cis_keto/DFT Humulone_Ag_cisKeto_11	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35157690; Eh
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_oppositefacets	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-53.15686078; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_Samefacets	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-53.02334139; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_prova1	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.91088956; eV
	24-Oct-2023	o_2oxy,_dir_Ag20_2oxy_prova3	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-52.82880785; eV
	24-Oct-2023	O2,_dir_Ag20_abs6	Bruix, Albert	vasp; 5.4.1; 24Jun15 (build Nov 08 2016 15:58:32) gamma-only	Geometry optimization	DFT	-	-51.99033898; eV

Results 301-310 of 338 (Search time: 0.001 seconds).