ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
20
21
22
23
24
25
26
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2023	Threonine_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-438.70146073; Eh
	31-Mar-2023	Carbendazim_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-663.56404035; Eh
	31-Mar-2023	Carbendazim_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-663.57280023; Eh
	31-Mar-2023	CAFFEINE_0	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-680.81071112; Eh
	31-Mar-2023	Cyromazine_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-563.65090305; Eh
	31-Mar-2023	Cyromazine_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-563.64531698; Eh
	31-Mar-2023	Cyromazine_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-563.64456267; Eh
	31-Mar-2023	Fenamidone_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1296.12744345; Eh
	31-Mar-2023	Fenamidone_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1296.12778896; Eh
	31-Mar-2023	Flusilazole_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1272.63720922; Eh

Results 221-230 of 279 (Search time: 0.002 seconds).