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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
18-Jan-2023	piperophos_CONF1678_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1968.77503603; Eh
8-May-2023	pyridate_CONF176_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1856.32169978; Eh
7-Oct-2022	ametoctradin_CONF617_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.53540546; Eh
27-Sep-2022	pyribencarb_CONF301_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1548.19897716; Eh
16-Jun-2023	/GSH GSH-H_tc_301_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23173968; Eh
9-Jan-2023	/Hum_Ag_trans_keto/DFT Humulone_transKeto_Neutral_Iso1_34	Ieritano, Christian	Orca; 5.0.1; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.36030436; Eh
27-Sep-2022	fluoxastrobin_Z_CONF46_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1965.04957910; Eh
27-Sep-2022	fluoxastrobin_Z_CONF45_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1965.04710318; Eh
7-Oct-2022	ametoctradin_CONF1463_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54325672; Eh
17-Jan-2023	pretilachlor_CONF615_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1328.97076428; Eh

Results 8361-8370 of 84799 (Search time: 0.014 seconds).