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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_CONF418_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56332503; Eh
	22-Sep-2023	Phorate_CONF417_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56342739; Eh
	22-Sep-2023	Phorate_CONF413_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56013406; Eh
	22-Sep-2023	Phorate_CONF420_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56206372; Eh
	22-Sep-2023	Phorate_CONF419_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56338964; Eh
	22-Sep-2023	Phorate_CONF42_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56152001; Eh
	21-Apr-2024	1triplet_SP	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1863.00224420; Eh
	21-Apr-2024	1-CO_SP	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-1976.42020286; Eh
	22-Sep-2023	Phorate_CONF344_octanol	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.56382772; Eh
	21-Apr-2024	1_SP	von Wolff, Niklas	Orca; 4.2.1; RELEASE	Single point	RKS	def2-TZVPP; def2-tzvpp/c	-

Results 84751-84760 of 84799 (Search time: 0.064 seconds).