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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_CONF242_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.54520000; Eh
	12-Jun-2017	Pt211_2HCl3Ptsurf	Almora, Neyvis	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Single point	-	-	-124.30562090; eV
	18-Jan-2023	cafenstrole_CONF78_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1465.94281993; Eh
	7-Oct-2022	amisulbrom_CONF18_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4548.38003747; Eh
	17-Jan-2023	eptc_CONF46_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-882.67355659; Eh
	7-Oct-2022	amisulbrom_CONF24_octanol	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4548.40017222; Eh
	8-Oct-2022	ametoctradin_CONF1099_gas	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-860.51045694; Eh
	15-Dec-2022	piperalin_CONF43_water	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1748.07616718; Eh
	25-Apr-2023	flumiclorac-pentyl_CONF346_octanol	Pulgar Rubio, Antonio	Orca; 5.0.2; RELEASE	Single point	-	def2-TZVPP	-1805.21709853; Eh
	7-Oct-2022	amisulbrom_CONF27_gas	Pulgar Rubio, Antonio	Orca; 4.2.1; RELEASE	Single point	-	def2-TZVPP	-4548.37992046; Eh

Results 81-90 of 81544 (Search time: 0.008 seconds).