ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
4
5
6
7
8
9
10
...
11
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_15_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-3466.19337362; Eh
	30-Jun-2021	/new_complexes Complex_19_H2	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31+G(D) 6-31G(D,P) GEN	-4319.27835680; Eh
	30-Jun-2021	/initial_complexes Complex_17_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AM64L-G09RevC.01	Single point Structure	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-2133.16817146; 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	/new_complexes Complex_18_H	Ortuño Maqueda, Manuel Angel	Gaussian; 09; AS64L-G09RevD.01	Geometry optimization Minimum	RM06	SDD 6-31G(D) 6-31G(D,P) GEN	-1623.34419957; Eh
	8-Aug-2022	val-pd-dmso	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-1786.45748299; Eh
	8-Aug-2022	val-TS-UR	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Minimum	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2221.15874570; Eh
	8-Aug-2022	nob-TS-DR	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2719.54781813; Eh
	8-Aug-2022	val-TS-US	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2221.17048505; Eh
	8-Aug-2022	nob-pd-dmso	Ortuño Maqueda, Manuel Angel	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	RM06	LANL2DZ 6-31+G(D,P) 6-31G(D,P) GEN	-2284.83253921; Eh

Results 61-70 of 104 (Search time: 0.001 seconds).