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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2023	pyridate_CONF170_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1856.32185371; Eh
	8-May-2023	pyridate_CONF171_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1856.32272240; Eh
	7-Oct-2022	ametoctradin_CONF1466_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54288935; Eh
	8-Oct-2022	clomeprop_CONF33_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1744.44200385; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_3	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.35982812; Eh
	8-May-2023	pyridate_CONF172_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1856.32333200; Eh
	9-Sep-2022	tolfenpyrad_CONF419_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1588.49744515; Eh
	9-Sep-2022	thifensulfuron_CONF24_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1986.77572019; Eh
	8-May-2023	pyridate_CONF173_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1856.32146374; Eh
	7-Oct-2022	ametoctradin_CONF617_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.53540546; Eh

Results 8421-8430 of 84874 (Search time: 0.016 seconds).