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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Dec-2021	tebuconazole_CONF69_octanol	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1323.0179473; Eh
	21-Dec-2021	tebuconazole_CONF7_octanol	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1323.0184005; Eh
	10-Sep-2022	chlorimuron_methyl_CONF1_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-2109.56117096; Eh
	8-Sep-2022	sedaxane_trans_CONF14_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1136.61175645; Eh
	25-Apr-2023	butafenacil_CONF406_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-2093.80451339; Eh
	11-Oct-2022	bispyribac_Na_CONF2_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1555.84813132; Eh
	9-Feb-2023	dimethomorph_Z_CONF9_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)	-1629.8008219; Eh
	15-Nov-2022	penfluten_CONF48_water	Pulgar Rubio, Antonio	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-1040.1200699; Eh
	9-Sep-2022	nicosulfuron_CONF169_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1760.67885947; Eh
	9-Sep-2022	nicosulfuron_CONF168_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1760.67802736; Eh

Results 197941-197950 of 320149 (Search time: 0.164 seconds).