ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
5
6
7
8
9
10
11
...
51
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Mar-2023	CBC_Ag_Iso3_14	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70592300; Eh
	15-Mar-2023	CBC_Ag_Iso2_22	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70087203; Eh
	15-Mar-2023	CBC_Ag_Iso2_27	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.69728500; Eh
	15-Mar-2023	CBC_Ag_Iso1_55	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70600724; Eh
	15-Mar-2023	CBC_Ag_Iso2_10	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70844113; Eh
	15-Mar-2023	CBC_Ag_Iso2_42	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70218761; Eh
	15-Mar-2023	CBC_Ag_Iso1_76	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70393317; Eh
	15-Mar-2023	CBC_Ag_Iso2_1	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70415548; Eh
	15-Mar-2023	CBD_Ag_Iso3_171	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.64981385; Eh
	15-Mar-2023	CBD_Ag_Iso3_120	Ieritano, Christian	Orca; 5.0.2; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1115.65077581; Eh

Results 71-80 of 507 (Search time: 0.002 seconds).