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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	21-Dec-2021	tebuconazole_CONF160_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)	-1323.0091463; Eh
	10-Sep-2022	chlorimuron_methyl_CONF28_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-2109.56155435; Eh
	10-Sep-2022	chlorimuron_methyl_CONF3_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-2109.56114954; Eh
	11-Oct-2022	bispyribac_Na_CONF6_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1555.84679238; Eh
	7-Oct-2022	meptyldinocap_CONF207_water	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1261.16023710; Eh
	17-Jan-2023	ethofumesate_CONF78_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1280.65401056; Eh
	9-Feb-2023	/Hammett TS_OiPr	Guo, Wentao	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RM062X	6-31G(D,P)	-2137.70170770; Eh
	21-Dec-2021	difenoconazole_RS_CONF44_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)	-2045.0539261; Eh
	21-Dec-2021	difenoconazole_RS_CONF42_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)	-2045.054198; Eh

Results 197861-197870 of 319344 (Search time: 0.165 seconds).