ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
8466
8467
8468
8469
8470
8471
8472
...
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_CONF702_water	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.55314072; Eh
	22-Sep-2023	Phorate_CONF696_water	Pulgar Rubio, Antonio	Orca; 5.0.3; RELEASE	Single point	-	def2-TZVPP	-1963.55294141; Eh
	16-Jun-2023	/GSH GSH-H_tt_343_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24771719; Eh
	16-Jun-2023	/GSH GSH-H_tt_345_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24169957; Eh
	16-Jun-2023	/GSH GSH-H_tt_346_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25706978; Eh
	16-Jun-2023	/GSH GSH-H_tt_344_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25807944; Eh
	16-Jun-2023	/GSH GSH-H_tt_347_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24485363; Eh
	16-Jun-2023	/GSH GSH-H_tt_337_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24906658; Eh
	16-Jun-2023	/GSH GSH-H_tt_334_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24649543; Eh
	16-Jun-2023	/GSH GSH-H_tt_335_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25073082; Eh

Results 84681-84690 of 84874 (Search time: 0.079 seconds).