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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
22-Dec-2021	bitertanol_RS_CONF96_water	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1090.77368758; Eh
22-Dec-2021	bromuconazole_cis_CONF30_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4236.79357220; Eh
22-Dec-2021	bromuconazole_cis_CONF3_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4236.79544246; Eh
22-Dec-2021	bromuconazole_cis_CONF2_water	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4236.78651847; Eh
22-Dec-2021	bromuconazole_cis_CONF3_water	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4236.78621940; Eh
22-Dec-2021	bromuconazole_trans_CONF7_water	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4236.78648681; Eh
22-Dec-2021	bromuconazole_trans_CONF5_water	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4236.78440117; Eh
22-Dec-2021	bromuconazole_trans_CONF4_water	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4236.78687529; Eh
22-Dec-2021	cyproconazole_RR_CONF21_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1282.18199774; Eh
22-Dec-2021	cyproconazole_RR_CONF19_octanol	Pla Terrada, Paula	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1282.18110644; Eh

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