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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Sep-2022	cyclosulfamuron_CONF8_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1782.69996353; Eh
	7-Oct-2022	meptyldinocap_CONF217_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1261.16415831; Eh
	11-Oct-2022	pyribenzoxim_CONF14_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-2111.36847723; Eh
	17-Jan-2023	ethofumesate_CONF93_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1280.65379422; Eh
	21-Dec-2021	difenoconazole_RS_CONF52_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)	-2045.0613893; Eh
	21-Dec-2021	difenoconazole_RS_CONF51_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)	-2045.0633588; Eh
	21-Dec-2021	difenoconazole_RS_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)	-2045.063314; Eh
	21-Dec-2021	tebuconazole_CONF34_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)	-1323.0118425; Eh
	21-Dec-2021	tebuconazole_CONF36_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)	-1323.011843; Eh
	9-Sep-2022	orthosulfamuron_CONF411_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1800.02303700; Eh

Results 197801-197810 of 320082 (Search time: 0.176 seconds).