ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
43
44
45
46
47
48
49
...
51
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Mar-2023	CBN_30	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-960.47034566; Eh
	15-Mar-2023	CBN_38	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-960.46577562; Eh
	15-Mar-2023	CBN_33	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-960.47035624; Eh
	15-Mar-2023	CBN_1	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-960.47213031; Eh
	15-Mar-2023	CBG_Ag_36	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1116.88373939; Eh
	15-Mar-2023	CBG_Ag_62	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1109.86994535; Eh
	15-Mar-2023	CBG_Ag_54	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1109.88011325; Eh
	15-Mar-2023	CBG_Ag_50	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1109.87228991; Eh
	15-Mar-2023	CBG_Ag_5	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1109.87001293; Eh
	15-Mar-2023	CBN_Ag_23	Ieritano, Christian	Orca; 5.0.3; RELEASE	Geometry optimization	-	def2-TZVPP	-1113.27073702; Eh

Results 451-460 of 507 (Search time: 0.001 seconds).