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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Oct-2022	bispyribac_Na_CONF40_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1555.84791901; Eh
	14-Dec-2022	spiroxamine_CONF456_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-912.30152237; Eh
	21-Dec-2021	diniconazole_Z_CONF5_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)	-1742.0884796; Eh
	21-Dec-2021	diniconazole_Z_CONF4_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)	-1742.0866435; Eh
	9-Feb-2023	iprovalicarb_CONF262_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)	-1038.4439588; Eh
	9-Sep-2022	orthosulfamuron_CONF384_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1799.99046775; Eh
	8-Sep-2022	sedaxane_trans_CONF34_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1136.61145301; Eh
	10-Sep-2022	cyclosulfamuron_CONF6_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1782.70014114; Eh
	7-Oct-2022	ametoctradin_CONF469_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54417780; Eh
	18-Jan-2023	butachlor_CONF126_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1328.99997739; Eh

Results 197901-197910 of 320149 (Search time: 0.165 seconds).