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

Search

previous
1
...
2348
2349
2350
2351
2352
2353
2354
...
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-h2ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2349.6814521; Eh
	9-Nov-2018	/vacuum/complexes h2sfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1443.50748726; Eh
	9-Nov-2018	/noDisp/complexes sin-shrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2089.0745384; Eh
	9-Nov-2018	/noDisp/complexes sin-brhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	sdd	-189.9951124; Eh
	5-Nov-2018	_Pt_bridge	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-170.21584640; eV
	5-Nov-2018	_F_hollow	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-
	9-Nov-2018	/noDisp/complexes sin-scnfecl2sextup_bo	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1535.4486488; Eh
	9-Nov-2018	/noDisp/complexes sin-shircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1302.9174676; Eh
	9-Nov-2018	/noDisp/complexes sin-shrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-890.941073; Eh
	9-Nov-2018	/noDisp/complexes sin-shtame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-615.4783449; Eh

Results 23501-23510 of 103928 (Search time: 0.014 seconds).