ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
...
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/ts1/c6 ts1c6_BFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.01430077; Eh
	5-Oct-2022	/template-3/ts1/c6 ts1c6_FFOAIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.02078314; Eh
	5-Oct-2022	/template-3/ts1/c7 ts1c7_BFONIN	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3058.01281051; Eh
	5-Oct-2022	/template-3/ts1/c4 60_FFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3058.01693539; Eh
	5-Oct-2022	/template-3/ts1/c7 ts1c7_BFININ	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.01932928; Eh
	5-Oct-2022	/template-3/ts1/c6 ts1c6_FFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.01727949; Eh
	5-Oct-2022	/template-3/ts1/c4 16_FFIAIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP GEN	-3058.02153712; Eh
	5-Oct-2022	/template-3/ts1/c4 4_1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	DEF2SVP GEN	-3058.01682625; Eh
	5-Oct-2022	/template-3/ts1/c4 26_crest_BFOAIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.01840241; Eh
	5-Oct-2022	/template-3/ts1/c4 ts1c4_c4_BFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.01840257; Eh

Results 21-30 of 278 (Search time: 0.001 seconds).