ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
4
5
6
7
8
9
10
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Nov-2022	/Endo_Ns TS-17	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3047.3387855; Eh
	22-Nov-2022	/Endo_Ns 6a(+)-Ns	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3047.8559042; Eh
	22-Nov-2022	/Endo_Nm TS-35	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3236.6096073; Eh
	22-Nov-2022	/Endo_Nm 3a-Nm	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3047.3736053; Eh
	22-Nov-2022	/Endo_Nm 9a-Nm	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3236.6192168; Eh
	22-Nov-2022	/Endo_Nm TS-34	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP	-3874.66819543; Eh
	22-Nov-2022	/Open_system_calculations 5a-open	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3142.5987336; Eh
	22-Nov-2022	/Endo_Nm TS-1	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3688.5515132; Eh
	22-Nov-2022	/Endo_Nm 9a(+)-Nm	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3236.525636; Eh
	22-Nov-2022	/Endo_Nm TS-2	Luthra, Mahika	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UTPSSh	DEF2SVP DEF2TZVP/GEN	-3047.3494189; Eh

Results 61-70 of 99 (Search time: 0.002 seconds).