ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
8
9
10
11
12
13
14
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2023	Dimetridazole_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-509.76790158; Eh
	31-Mar-2023	Fenhexamid_0e	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1669.82116685; Eh
	31-Mar-2023	Fenobucarb_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-673.16376911; Eh
	31-Mar-2023	Fenobucarb_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-673.16574898; Eh
	31-Mar-2023	Fenobucarb_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-673.16367918; Eh
	31-Mar-2023	Fenobucarb_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-673.16575338; Eh
	31-Mar-2023	Glycine_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-284.83334445; Eh
	31-Mar-2023	GABA_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-363.48018603; Eh
	31-Mar-2023	Glycine_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-284.82438245; Eh
	31-Mar-2023	GABA_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-363.48982058; Eh

Results 101-110 of 279 (Search time: 0.002 seconds).