ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
382
383
384
385
386
387
388
...
392
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Nov-2023	DEGDN_neut_C06_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-793.50257884; Eh
	10-Nov-2023	ETN_neut_C016_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91711037; Eh
	10-Nov-2023	ETN_neut_C017_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.90906435; Eh
	10-Nov-2023	ETN_neut_C019_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91720957; Eh
	10-Nov-2023	ETN_neut_C018_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.90988604; Eh
	10-Nov-2023	ETN_neut_C020_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1277.91493056; Eh
	10-Nov-2023	NG_NO3_C00_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1239.30788354; Eh
	10-Nov-2023	NG_neut_C08_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-958.73978771; Eh
	10-Nov-2023	NG_neut_C11_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-958.73736344; Eh
	10-Nov-2023	NG_neut_C09_OptFreq	Haack, Alexander	Orca; 5.0.4; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-958.73979429; Eh

Results 3841-3850 of 3920 (Search time: 0.005 seconds).