ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
8
9
10
11
12
13
14
...
132
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2019	Co-16-O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1764.44909054; Eh
	3-May-2019	Cu-15-VAC	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1353.55008410; Eh
	3-May-2019	Cu-15-O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1428.65827605; Eh
	3-May-2019	Cu-15-OOH	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1504.48770743; Eh
	3-May-2019	tpssh-Ru-2-H2O-II	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.84137545; Eh
	10-Aug-2020	GeCo4-Evac-b3lyp-hs-pcmb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11148.5195613; Eh
	10-Aug-2020	FePCo3-Evac-b3lyp-hs-pcmb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7659.89844442; Eh
	3-May-2019	Ru-6-O4d-dispb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1438.97224816; Eh
	10-Aug-2020	Fe_N-PCo3-Eoh-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7735.70643951; Eh
	10-Aug-2020	Fe_N-PCo3-EoV-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7734.83616601; Eh

Results 101-110 of 1320 (Search time: 0.001 seconds).