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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Nov-2022	penfluten_CONF85_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)	-1040.1174322; Eh
	9-Sep-2022	orthosulfamuron_CONF437_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1799.99577307; Eh
	7-Oct-2022	meptyldinocap_CONF209_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1261.16147156; Eh
	7-Oct-2022	ametoctradin_CONF482_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54575331; Eh
	8-Oct-2022	ametoctradin_CONF1463_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.51007974; Eh
	17-Jan-2023	ethofumesate_CONF8_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1280.65187788; Eh
	8-Sep-2022	sedaxane_trans_CONF86_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1136.61204934; Eh
	21-Dec-2021	difenoconazole_RS_CONF141_water	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2045.0556625; Eh
	21-Dec-2021	difenoconazole_RS_CONF149_water	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2045.0556365; Eh
	21-Dec-2021	difenoconazole_RS_CONF142_water	Pla Terrada, Paula	Gaussian; 16; EM64L-G16RevC.01	Geometry optimization Minimum	RB3LYP; TD-FC	6-311+G(D,P) 6-311+G(3DF,2P)	-2045.0556633; Eh

Results 197851-197860 of 320127 (Search time: 0.166 seconds).