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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
25-Apr-2023	flumiclorac-pentyl_CONF349_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1805.18474024; Eh
27-Sep-2022	pyribencarb_CONF316_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1548.19745354; Eh
18-Jan-2023	dimethenamid_CONF94_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1531.80525250; Eh
7-Oct-2022	ametoctradin_CONF1472_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54471612; Eh
7-Oct-2022	ametoctradin_CONF760_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54517292; Eh
9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_69	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35283389; Eh
9-Sep-2022	thifensulfuron_CONF31_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1986.77589100; Eh
27-Sep-2022	fluoxastrobin_Z_CONF60_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1965.04782384; Eh
10-Sep-2022	ethametsulfuron_CONF416_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1760.69961971; Eh
18-Jan-2023	piperophos_CONF1688_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1968.77550070; Eh

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