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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Sep-2022	isoflucypram_CONF58_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1735.99967356; Eh
6-Mar-2023	tolylfluanid_CONF33_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2465.56705083; Eh
18-Jan-2023	fentrazamide_CONF24_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1506.26539883; Eh
8-Sep-2022	pentuflen_CONF11_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1039.80161557; Eh
10-Sep-2022	sulfometuron_methyl_CONF188_octanol	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1575.1045845; Eh
10-Sep-2022	sulfometuron_methyl_CONF189_gas	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1575.0748042; Eh
6-Mar-2023	tolylfluanid_CONF35_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2465.56891358; Eh
25-Apr-2023	butafenacil_CONF281_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2093.80527549; Eh
7-Oct-2022	meptyldinocap_CONF514_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1261.15702816; Eh
7-Oct-2022	meptyldinocap_CONF513_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1261.15885585; Eh

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