ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
6
7
8
9
10
11
12
...
24
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	15-Mar-2023	Delta8_THC_Ag_Iso3_1	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70956127; Eh
	15-Mar-2023	Delta8_THC_Ag_Iso3_2	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.71063992; Eh
	15-Mar-2023	Delta8_THC_Ag_Iso3_9	Ieritano, Christian	Orca; 5.0.3; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.71475454; Eh
	15-Mar-2023	Delta9_THC_Ag_Iso1_19	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70986597; Eh
	15-Mar-2023	Delta9_THC_Ag_Iso1_39	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70358872; Eh
	15-Mar-2023	Delta9_THC_Ag_Iso1_16	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70650604; Eh
	15-Mar-2023	Delta9_THC_Ag_Iso1_144	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70569784; Eh
	15-Mar-2023	Delta9_THC_Ag_Iso1_31	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70860643; Eh
	15-Mar-2023	Delta9_THC_Ag_Iso1_1	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.71065070; Eh
	15-Mar-2023	Delta9_THC_Ag_Iso1_14	Ieritano, Christian	Orca; 5.0.2; RELEASE	Single point	DLPNO-CCSD(T)	def2-TZVPP; def2-TZVPP/C	-1108.70651410; Eh

Results 81-90 of 238 (Search time: 0.001 seconds).