ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
21
22
23
24
25
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBN_Ag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1113.27723911; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBG_Ag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1116.89525464; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBG_Ag_299frag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-764.15976605; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBG_Ag_193frag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-617.75388187; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBD_Ag_frag355	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-920.25875047; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBD_Ag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.68149485; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBD_Ag_231frag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-733.26468075; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBC_Ag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.67955220; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Charged_Fragments/DFT CBC_Ag_231frag	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-733.32958823; Eh
	2-May-2023	/CID_Fragmentation_DeltaG/Neutral_Fragments/DFT Isoprene	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-195.31450918; Eh

Results 231-240 of 247 (Search time: 0.002 seconds).