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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
7-Oct-2022	ametoctradin_CONF292_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54578640; Eh
17-Jan-2023	eptc_CONF51_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-882.67414203; Eh
27-Sep-2022	trifloxystrobin_CONF27_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1483.57608973; Eh
16-Jun-2023	/GSH GSH-H_tt_239_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24508849; Eh
18-Jan-2023	cafenstrole_CONF76_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1465.94238507; Eh
7-Oct-2022	amisulbrom_CONF12_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4548.37987514; Eh
8-Oct-2022	ametoctradin_CONF1017_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.51092237; Eh
25-Apr-2023	flumiclorac-pentyl_CONF343_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1805.21530351; Eh
15-Dec-2022	piperalin_CONF35_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1748.07618392; Eh
7-Oct-2022	ametoctradin_CONF947_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.53516323; Eh

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