ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
2
3
4
5
6
7
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_7_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3470.38070251; Eh
	30-Jun-2021	/initial_complexes Complex_7_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3470.81416000; Eh
	30-Jun-2021	/initial_complexes Complex_6_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-1937.68832614; Eh
	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	/initial_complexes Complex_9_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31+G(D) 6-31G(D,P) GEN	-477.505498528; Eh
	30-Jun-2021	/initial_complexes Complex_9_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31+G(D) 6-31G(D,P) GEN	-477.274968941; Eh
	30-Jun-2021	/initial_complexes Complex_10_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-374.064369014; Eh
	30-Jun-2021	/initial_complexes Complex_10_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-373.775142554; 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

Results 31-40 of 65 (Search time: 0.002 seconds).