ioChem-BD Browse - Barcelona Supercomputing Center: Search

Search

previous
1
...
12
13
14
15
16
17
18
...
20
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2019	Ru-1-OOH-dispersion	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1920.436875; Eh
	3-May-2019	Ru-8-OOH	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2471.75007429; Eh
	3-May-2019	Ru-1-OH-freq-dispb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1845.17958436; Eh
	3-May-2019	Ru-1-OH-freq-dispb-dispersion	Craig, Michael	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1845.2850064; Eh
	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-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	Co-16-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1689.31086223; Eh
	3-May-2019	Mn-10-O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1341.90190579; 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	tpssh-Ru-2-H2O-III	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.66699071; Eh

Results 141-150 of 195 (Search time: 0.001 seconds).