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

Search

previous
1
...
2303
2304
2305
2306
2307
2308
2309
...
10353
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 shfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1903.56976621; Eh
	9-Nov-2018	/vacuum/complexes sfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1902.75687707; Eh
	9-Nov-2018	/vacuum/complexes shzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2006.77109158; Eh
	9-Nov-2018	/vacuum/complexes shniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-912.964299201; Eh
	9-Nov-2018	/vacuum/complexes shincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1321.21465017; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall5	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28401019; Eh
	9-Nov-2018	/vacuum/complexes imidazolnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2320.25491331; Eh
	9-Nov-2018	/vacuum/complexes nme3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-350.978359840; Eh
	9-Nov-2018	/vacuum/complexes nme3cucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-464.746046039; Eh
	9-Nov-2018	/vacuum/complexes ofenoaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-458.673353710; Eh

Results 23051-23060 of 103529 (Search time: 0.066 seconds).