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

Search

previous
1
...
1581
1582
1583
1584
1585
1586
1587
...
10452
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-coauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-592.0455001; Eh
	9-Nov-2018	/noDisp/complexes sin-cnZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2441.3322943; Eh
	9-Nov-2018	/noDisp/complexes sin-cnticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1531.9675692; Eh
	9-Nov-2018	/noDisp/complexes sin-cocro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-426.0122072; Eh
	9-Nov-2018	/noDisp/complexes sin-cnwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-726.85679; Eh
	9-Nov-2018	/noDisp/complexes sin-cok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-141.4727271; Eh
	9-Nov-2018	/vacuum/complexes tiofenonipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2647.02046249; Eh
	9-Nov-2018	/noDisp/complexes sin-cnrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-584.9579151; Eh
	9-Nov-2018	/noDisp/complexes sin-cnptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-711.5558193; Eh
	9-Nov-2018	/vacuum/complexes sime3agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-782.525350536; Eh

Results 15831-15840 of 104515 (Search time: 0.011 seconds).