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

Search

previous
1
...
1517
1518
1519
1520
1521
1522
1523
...
10459
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-chch2incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1000.3832806; Eh
	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 h2scunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.907684834; Eh
	9-Nov-2018	/noDisp/complexes sin-clincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1382.633286; 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	_Pt1_b_static	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-169.03231736; eV
	27-Jun-2023	A4-Z	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1670.86811156; Eh
	9-Nov-2018	/noDisp/complexes sin-sircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1302.3621216; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1748.1867452; Eh
	9-Nov-2018	/noDisp/complexes sin-shptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1017.491726; Eh

Results 15191-15200 of 104583 (Search time: 0.056 seconds).