ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
14
15
16
17
18
19
20
...
28
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	30-Jun-2021	/initial_complexes Complex_8_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-4038.77006357; Eh
	30-Jun-2021	/initial_complexes Complex_8_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-4038.46292786; Eh
	30-Jun-2021	/new_complexes Complex_18_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-1623.75945224; Eh
	30-Jun-2021	/initial_complexes Complex_1_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-3510.82541863; Eh
	30-Jun-2021	/initial_complexes Complex_2_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-3970.88180575; Eh
	30-Jun-2021	/initial_complexes Complex_12_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) 6-31+G(D) GEN	-932.336907412; Eh
	30-Jun-2021	/initial_complexes Complex_15_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3466.62426183; Eh
	30-Jun-2021	/initial_complexes Complex_14_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3499.34057606; Eh
	4-Jun-2018	Formanilide_trans	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-400.696112956; Eh
	4-Jun-2018	Formanilide_cis	Artus Suarez, Lluis	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RM06	6-31+G**	-400.696773606; Eh

Results 161-170 of 274 (Search time: 0.001 seconds).