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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	7-Oct-2022	ametoctradin_CONF62_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.53409457; Eh
	8-Oct-2022	clomeprop_CONF34_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1744.44184328; Eh
	8-May-2023	pyridate_CONF18_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1856.32336198; Eh
	9-Sep-2022	tolfenpyrad_CONF423_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1588.49741487; Eh
	16-Jun-2023	/GSH GSH-H_tc_303_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24946436; Eh
	27-Sep-2022	pyribencarb_CONF309_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1548.19713313; Eh
	18-Jan-2023	dimethenamid_CONF7_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1531.80349892; Eh
	9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_53	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36322033; Eh
	10-Sep-2022	ethametsulfuron_CONF413_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1760.69942353; Eh
	7-Oct-2022	ametoctradin_CONF1469_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54292149; Eh

Results 8381-8390 of 84874 (Search time: 0.015 seconds).