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

Search

previous
1
...
722
723
724
725
726
727
728
...
1327
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes ch3-zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1647.83467045; Eh
	9-Nov-2018	/vacuum/complexes spdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-869.247279501; Eh
	9-Nov-2018	/vacuum/complexes cnniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-607.012820853; Eh
	9-Nov-2018	/vacuum/complexes claucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-688.998327601; Eh
	9-Nov-2018	/vacuum/complexes brzrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-406.109122562; Eh
	9-Nov-2018	/vacuum/complexes ch3-cuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-277.215220357; Eh
	9-Nov-2018	/vacuum/complexes brnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2107.52804743; Eh
	9-Nov-2018	/vacuum/complexes ch3-fecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1544.62469506; Eh
	9-Nov-2018	/vacuum/complexes ch3-snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-163.042761909; Eh
	9-Nov-2018	/vacuum/complexes ch3-niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.017757379; Eh

Results 7241-7250 of 13266 (Search time: 0.006 seconds).