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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Mar-2025	chlorimuron_methyl_CONF57_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-2109.55889925; Eh
27-Mar-2025	chlorimuron_methyl_CONF55_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-2109.55961323; Eh
27-Mar-2025	chlorimuron_methyl_CONF5_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-2109.56113642; Eh
18-Mar-2025	tembotrione_CONF18_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2266.87300342; Eh
9-Apr-2025	/clean surface_559	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.95451006; eV
27-Mar-2025	chlorimuron_methyl_CONF43_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-2109.55866824; Eh
18-Mar-2025	tefuryltrione_CONF82_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2161.10257601; Eh
9-Apr-2025	/clean surface_553	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.31794328; eV
9-Apr-2025	/clean surface_557	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.38260045; eV
9-Apr-2025	/clean surface_558	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-423.36444291; eV

Results 386071-386080 of 397199 (Search time: 0.243 seconds).