ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
6
7
8
9
10
11
12
...
20
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Nov-2021	C66	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-2832.32639664; Eh
	17-Nov-2021	C82	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RPBE1PBE	DEF2SVP DEF2SVP/W06	-1290.27141352; Eh
	17-Nov-2021	C81	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1135.31893450; Eh
	17-Nov-2021	C83	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1597.04569372; Eh
	17-Nov-2021	C84	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-1675.57831111; Eh
	17-Nov-2021	E041	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-919.208860629; Eh
	17-Nov-2021	E040	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-796.499021639; Eh
	17-Nov-2021	E038	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-757.005678239; Eh
	17-Nov-2021	E039	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-558.896803403; Eh
	17-Nov-2021	E046	von Wolff, Niklas	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RM06L	DEF2SVP DEF2SVP/W06	-3032.90101524; Eh

Results 81-90 of 199 (Search time: 0.001 seconds).