ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
5
6
7
8
9
10
11
...
31
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	31-Mar-2023	Pyracarbolid_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-710.05341674; Eh
	31-Mar-2023	Propoxur_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-709.07996198; Eh
	31-Mar-2023	Propoxur_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-709.07152975; Eh
	31-Mar-2023	Pyrimethanil_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-629.81982428; Eh
	31-Mar-2023	Rotenone_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.47960543; Eh
	31-Mar-2023	Rotenone_0a	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1341.47793936; Eh
	31-Mar-2023	Buprofezin_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1261.72138870; Eh
	31-Mar-2023	Buprofezin_0d	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1261.67423767; Eh
	31-Mar-2023	Buprofezin_0c	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-1261.72138876; Eh
	31-Mar-2023	Butocarboxim_0b	Ieritano, Christian; Haack, Alexander	Orca; 5.0.3; RELEASE	Geometry optimization Minimum	-	def2-TZVPP	-933.72379518; Eh

Results 71-80 of 309 (Search time: 0.001 seconds).