ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
8477
8478
8479
8480
8481
8482
8483
...
8488
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Sep-2023	Phorate_CONF781_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54571189; Eh
	22-Sep-2023	Phorate_CONF798_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54786047; Eh
	22-Sep-2023	Phorate_CONF90_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54483815; Eh
	22-Sep-2023	Phorate_CONF82_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54619045; Eh
	22-Sep-2023	Phorate_CONF86_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54497685; Eh
	22-Sep-2023	Phorate_CONF802_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54737127; Eh
	22-Sep-2023	Phorate_CONF9_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54553559; Eh
	22-Sep-2023	Phorate_CONF81_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54616835; Eh
	22-Sep-2023	Phorate_CONF8_gas	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.54299812; Eh
	7-Jun-2024	/Testing_functionals_for_UV 1_PBE_Closed_opt	Dietrich, Fabian	Orca; 5.0.3; RELEASE	Geometry optimization	DFT	def2-TZVPP	-918.01059120; Eh

Results 84791-84800 of 84874 (Search time: 0.079 seconds).