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

Search

previous
1
...
1474
1475
1476
1477
1478
1479
1480
...
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-smeincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1360.5232404; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1158.1108477; Eh
	9-Nov-2018	/noDisp/complexes sin-tiofenozncl3_newfix	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2161.0070599; Eh
	9-Nov-2018	/noDisp/complexes sin-bpink	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-282.2891431; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinfecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1758.7087577; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1331.6763223; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1043.2587483; Eh
	9-Nov-2018	/vacuum/complexes h2stame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-615.799149306; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1298.386488; Eh
	9-Nov-2018	/noDisp/complexes sin-bpinconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-682.2219893; Eh

Results 14761-14770 of 104583 (Search time: 0.011 seconds).