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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Dec-2021	tetraconazole_CONF96_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)	-2061.7589694; Eh
	21-Dec-2021	tetraconazole_CONF97_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)	-2061.758993; Eh
	21-Dec-2021	propiconazole_RS_CONF192_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1817.04427425; Eh
	21-Dec-2021	propiconazole_RS_CONF19_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1817.04533711; Eh
	21-Dec-2021	propiconazole_RS_CONF2_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1817.04354817; Eh
	11-Oct-2022	pyriminobac_methyl_E_CONF83_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1274.93447833; Eh
	27-Sep-2022	enoxystrobin_CONF9_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1667.45841815; Eh
	25-May-2023	triaziflam_CONF298_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1111.28629689; Eh
	14-Dec-2022	terbinafine_CONF134_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-870.04074193; Eh
	21-Dec-2021	tetraconazole_CONF85_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)	-2061.7584154; Eh

Results 233511-233520 of 318743 (Search time: 0.205 seconds).