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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Sep-2023	Phorate_CONF65_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54278017; Eh
	20-Sep-2022	fluopyram_CONF104_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-1860.57465285; Eh
	7-Oct-2022	ametoctradin_CONF272_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54532277; Eh
	17-Jan-2023	eptc_CONF73_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-882.67309633; Eh
	18-Jan-2023	pethoxamid_CONF41_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1288.42275473; Eh
	25-Apr-2023	flumiclorac-pentyl_CONF349_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1805.21645472; Eh
	7-Oct-2022	ametoctradin_CONF226_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54679077; Eh
	23-Dec-2022	piperalin_CONF28_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1748.08258853; Eh
	15-Dec-2022	piperalin_CONF39_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1748.07591278; Eh
	23-Dec-2022	piperalin_CONF278_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1748.08912877; Eh

Results 91-100 of 81544 (Search time: 0.009 seconds).