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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
27-Mar-2025	prosulfuron_CONF504_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1853.85661927; Eh
27-Mar-2025	prosulfuron_CONF518_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1853.85757405; Eh
27-Mar-2025	prosulfuron_CONF519_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1853.85767956; Eh
27-Mar-2025	prosulfuron_CONF507_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1853.85687249; Eh
27-Mar-2025	prosulfuron_CONF503_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	DFT	def2-TZVPP; def2/J	-1853.85661363; Eh
19-May-2025	/pa dlpno_ccsdt_neutral_4	Renningholtz, Tim	Orca; 6.0.0; RELEASE	Single point	DLPNO-CCSD(T)	ano-pvqz; autoaux	-462.22490280825497; Eh
9-Apr-2025	/clean surface_968	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.12701502; eV
9-Apr-2025	/clean surface_967	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-423.65215981; eV
9-Apr-2025	/clean surface_966	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-422.41912431; eV
9-Apr-2025	/clean surface_969	Song, Haohong	vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex	Single point	DFT	-	-424.12794313; eV

Results 386311-386320 of 397199 (Search time: 0.213 seconds).