ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
7
...
12
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/c4 ts1c4_BBINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.02228157; Eh
	5-Oct-2022	/template-3/ts1/c4 ts1c4_FBIAIN	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.02296585; Eh
	5-Oct-2022	/template-3/ts1/c3 ts1c3_BFONIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN DEF2TZVPP	-3061.4515526; Eh
	5-Oct-2022	/template-3/ts1/c3 ts1c3_FBININ	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.02135282; Eh
	5-Oct-2022	/template-3/ts1/c3 ts1c3_BFOAIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.01830870; Eh
	5-Oct-2022	/template-3/ts1/c4 ts1c4_c2_FFINIA	Fernandez, Gilberto	Gaussian; 16; EM64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.01499384; Eh
	5-Oct-2022	/template-3/ts1/c3 ts1c3_BFINIA_t3	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3058.02382865; Eh
	5-Oct-2022	/template-3/ts2/OAc 17_ts2_oac	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3195.54383546; Eh
	5-Oct-2022	/template-3/ts2/OAc 13_ts2_oac	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3195.54336059; Eh
	5-Oct-2022	/template-3/ts2/OAc 1_ts2_oac	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-3195.54315370; Eh

Results 31-40 of 115 (Search time: 0.001 seconds).