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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
9-Sep-2022	propyrisulfuron_CONF40_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-2238.49934569; Eh
25-Apr-2023	carfentrazone-ethyl_CONF123_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2190.08671286; Eh
27-Sep-2022	metyltetraprole_CONF94_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1673.46954489; Eh
10-Sep-2022	cinosulfuron_CONF162_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1781.71964894; Eh
27-Sep-2022	coumoxystrobin_CONF258_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1459.10337797; Eh
18-Jan-2023	butachlor_CONF568_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1328.98740798; Eh
9-Jan-2023	dodemorph-cis_CONF5_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-837.06580345; Eh
14-Dec-2022	terbinafine_CONF82_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-870.04061700; Eh
15-Nov-2022	isopyrazam_anti_CONF23_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)	-1215.632975; Eh
21-Dec-2021	propiconazole_RS_CONF45_gas	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1817.01686270; Eh

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