ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	19-Mar-2021	Na2-P	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2540.71005946; Eh
	19-Mar-2021	Na2-I2	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-3414.59398721; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_cluster	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) SDDALL GEN	-2433.72103893; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures ga_W_dmadprodr	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) SDDALL GEN	-2966.65992399; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_pha_prod1	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) SDDALL GEN	-2742.03636715; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures ga_W_dmad	G. Algarra, Andrés	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-532.897902258; Eh
	22-Mar-2020	/wB97XD_BS1_optimized_structures w_pha	G. Algarra, Andrés	Gaussian; 16; ES64L-G16RevB.01	Geometry optimization Minimum	RwB97XD	6-31G(D,P) GEN	-308.282997251; Eh
	28-Apr-2020	2	Garcia Melchor, Max	Gaussian; 09; AM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.55268078; Eh
	28-Apr-2020	BH_act-product	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1915.47989404; Eh
	28-Apr-2020	I1	Garcia Melchor, Max	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	RwB97XD	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-1832.26161137; Eh

Results 11-20 of 32 (Search time: 0.001 seconds).