ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
2
3
4
5
6
7
8
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Oct-2022	/template-3/ts4 ts4_FFINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3403.14206287; Eh
	5-Oct-2022	/template-3/ts4 ts4_BFINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3403.14619510; Eh
	5-Oct-2022	/template-3/ts4 ts4_FBONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3403.14096255; Eh
	5-Oct-2022	/template-3/ts3 ts3_FFINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3403.16122621; Eh
	5-Oct-2022	/template-3/int1 5_BBONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2495.26019356; Eh
	5-Oct-2022	/template-3/int1 4_BFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2495.26197500; Eh
	5-Oct-2022	/template-3/int1 6_FFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2495.26186157; Eh
	5-Oct-2022	/template-3/int1 2_FFONON	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2495.25737881; Eh
	5-Oct-2022	/template-3/int1 3_FFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-2495.26321242; Eh
	5-Oct-2022	/template-3/int1 14_FFIAOA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RMN15	DEF2TZVPP	-2498.1433152; Eh

Results 41-50 of 278 (Search time: 0.001 seconds).