ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
20
21
22
23
24
25
26
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Oct-2022	/sm template-1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RMN15	DEF2TZVPP	-1952.22174; Eh
	5-Oct-2022	/template-1/ts1/c5 ts1_FFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-2781.39658323; Eh
	5-Oct-2022	/sm template-2	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RMN15	DEF2TZVPP	-2030.7784887; Eh
	5-Oct-2022	/template-1/ts1/c5 ts1_FFOAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization TS	RMN15	GEN	-2781.39868353; Eh
	5-Oct-2022	/template-1/ts1/c5 ts1_BFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-2781.39898437; Eh
	5-Oct-2022	/template-1/ts1/c5 ts1_BBINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-2781.39899034; Eh
	5-Oct-2022	/template-1/ts1/c4 ts1c4_FBIAIN_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.39483894; Eh
	5-Oct-2022	/template-1/ts1/c6 ts1c6_FBIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.40479464; Eh
	5-Oct-2022	/template-1/ts1/c5 ts1_FBIAIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RMN15	GEN	-2781.40014720; Eh
	5-Oct-2022	/template-1/ts1/c4 ts1c4_BFINIA_t1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN	-2781.39556363; Eh

Results 221-230 of 278 (Search time: 0.001 seconds).