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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
7-Oct-2022	meptyldinocap_CONF1560_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1261.15714976; Eh
27-Sep-2022	picoxystrobin_CONF73_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1350.88221731; Eh
27-Sep-2022	coumoxystrobin_CONF389_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1459.12463439; Eh
14-Dec-2022	spiroxamine_CONF25_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-912.31550618; Eh
17-Jan-2023	vernolate_CONF160_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-921.99384449; Eh
27-Sep-2022	picoxystrobin_CONF74_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1350.88191616; Eh
27-Sep-2022	pyraclostrobin_CONF163_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1660.26413615; Eh
27-Sep-2022	famoxadone_CONF172_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1259.71561865; Eh
18-Jan-2023	butachlor_CONF1197_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1328.97540119; Eh
16-Jun-2023	/DEF2SVP_SINGLEPOINT_DATA_AND_FFS coga_ma2_ms0	Mounssef Júnior, Bassim	Orca; 5.0.2; RELEASE	Single point	DFT	def2-svp	-16705.70477936; Eh

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