ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
2
3
4
5
6
7
8
...
206
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	16-Jun-2023	/GSH GSH-H_tt_201_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24827608; Eh
	16-Jun-2023	/GSH GSH-H_tt_195_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23528142; Eh
	16-Jun-2023	/GSH GSH-H_tt_194_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24602586; Eh
	16-Jun-2023	/GSH GSH-H_tt_216_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24107845; Eh
	16-Jun-2023	/GSH GSH-H_tt_207_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.24295303; Eh
	16-Jun-2023	/GSH GSH-H_tt_209_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23384370; Eh
	16-Jun-2023	/GSH GSH-H_tt_179_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25127095; Eh
	16-Jun-2023	/GSH GSH-H_tt_170_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.22384968; Eh
	16-Jun-2023	/GSH GSH-H_tt_190_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.23661383; Eh
	16-Jun-2023	/GSH GSH-H_tt_183_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1406.25171998; Eh

Results 41-50 of 2058 (Search time: 0.002 seconds).