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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Dec-2021	epoxiconazole_RR_CONF12_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)	-1455.5322813; Eh
	21-Dec-2021	epoxiconazole_RR_CONF11_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)	-1455.5322811; Eh
	21-Dec-2021	epoxiconazole_RR_CONF2_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)	-1455.5336432; Eh
	9-Sep-2022	orthosulfamuron_CONF376_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1799.99137615; Eh
	10-Sep-2022	chlorimuron_methyl_CONF14_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-2109.56162917; Eh
	8-Sep-2022	sedaxane_trans_CONF2_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1136.61417957; Eh
	11-Oct-2022	bispyribac_Na_CONF21_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1555.84801007; Eh
	18-Jan-2023	butachlor_CONF1213_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1328.99984618; Eh
	17-Jan-2023	ethofumesate_CONF59_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1280.65153020; Eh
	17-Jan-2023	ipfencarbazone_CONF3_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)	-2184.4336238; Eh

Results 197921-197930 of 320149 (Search time: 0.195 seconds).