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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	24-Oct-2023	2oxy,_dir_Ag140_2oxy_4fold_comb2	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-357.57381740; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN6_32	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.00262888; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN4_45	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.22643157; eV
	24-Oct-2023	1oxy,_dir_Ag140_GCN4_08	Bruix, Albert	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:31:20) gamma-only	Geometry optimization	DFT	-	-351.63160526; eV
	15-Mar-2023	Delta8_THC_Ag_Iso1_23	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.66267513; Eh
	15-Mar-2023	Delta8_THC_Ag_Iso1_11	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.66548789; Eh
	15-Mar-2023	Delta8_THC_Ag_Iso1_20	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.66429662; Eh
	15-Mar-2023	Delta8_THC_Ag_Iso1_26	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.66096767; Eh
	15-Mar-2023	Delta8_THC_Ag_Iso1_20	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70972348; Eh
	15-Mar-2023	Delta8_THC_Ag_Iso1_11	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.71268126; Eh

Results 31-40 of 507 (Search time: 0.001 seconds).