ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
7
...
16
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/int2 12_BFINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3058.03378167; Eh
	5-Oct-2022	/template-3/int2 14_FFOAIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3058.03012627; Eh
	5-Oct-2022	/template-3/int5 int5_FFINIA_c1	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RB3LYP; RMN15	3-21G GEN DEF2TZVPP	-3407.0536373; Eh
	5-Oct-2022	/template-3/int4 int4_1FBONIA_QRCR	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN DEF2TZVPP	-3407.0345158; Eh
	5-Oct-2022	/template-3/int4 int4_FFINIA_QRCR	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3403.17498569; Eh
	5-Oct-2022	/template-3/int4 int4_FFONIA_QRCR	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3403.17169416; Eh
	5-Oct-2022	/template-3/int3 int3c5_BFINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	RMN15	GEN	-3058.05811823; Eh
	5-Oct-2022	/template-3/int3 int3c5_FFOAIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3058.05375323; Eh
	5-Oct-2022	/template-3/int5 int5_1BFINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3403.20040269; Eh
	5-Oct-2022	/template-3/int5 int5_BFINIA	Fernandez, Gilberto	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RMN15	GEN	-3403.19765329; Eh

Results 31-40 of 157 (Search time: 0.001 seconds).