ioChem-BD Browse - Institute of Chemical Research of Catalonia: Search

Search

previous
1
...
2368
2369
2370
2371
2372
2373
2374
...
10393
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-closo3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-776.2186825; Eh
	9-Nov-2018	/vacuum/complexes sih3-ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-753.931079828; Eh
	9-Nov-2018	/noDisp/complexes sin-brwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-647.4280482; Eh
	9-Nov-2018	/noDisp/complexes sin-cnalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1716.217615; Eh
	9-Nov-2018	/noDisp/complexes sin-clptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1078.9118709; Eh
	9-Nov-2018	/vacuum/complexes sih3-fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1796.03396912; Eh
	9-Nov-2018	/noDisp/complexes sin-clauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-939.1953952; Eh
	9-Nov-2018	/noDisp/complexes sin-brrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1703.6982296; Eh
	9-Nov-2018	/noDisp/complexes sin-clfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1504.6422503; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-355.9480421; Eh

Results 23701-23710 of 103928 (Search time: 0.012 seconds).