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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	21-Dec-2021	mefentrifluconazole_CONF118_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1769.54727650; Eh
	21-Dec-2021	mefentrifluconazole_CONF12_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1769.54640646; Eh
	27-Sep-2022	coumoxystrobin_CONF322_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1459.13298516; Eh
	7-Oct-2022	ametoctradin_CONF1198_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.53598045; Eh
	18-Jan-2023	propisochlor_CONF151_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1250.34551976; Eh
	16-Apr-2018	000295078	Central, ioChem-BD	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	-	-1169.02657405; Eh
	7-Oct-2022	fluaziman_CONF3_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)	-2537.6333486; Eh
	14-Dec-2022	dodemorph-cis_CONF15_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)	-837.3107172; Eh
	21-Dec-2021	mefentrifluconazole_CONF131_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1769.54473063; Eh
	21-Dec-2021	mefentrifluconazole_CONF120_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1769.54705520; Eh

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