ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
...
36
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_130_OptFreq	Haack, Alexander	Orca; 5.0.2; RELEASE	Geometry optimization	-	def2-TZVPP	-1406.22386530; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3e	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.77808077; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3d	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.78038868; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3c	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.77920089; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3m	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.76806899; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3o	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.76438977; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3f	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.77396274; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3g	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.77541035; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3r	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.76239522; Eh
	17-Nov-2021	/Clonidine_Clusters/MeOH_Clusters Clonidine_MeOH_3u	Haack, Alexander	Orca; 5.0.1; RELEASE	Geometry optimization	-	def2-TZVPP	-1780.76373077; Eh

Results 21-30 of 358 (Search time: 0.002 seconds).