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

Search

previous
1
...
2390
2391
2392
2393
2394
2395
2396
...
10448
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-fecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1544.68118005; Eh
	9-Nov-2018	/vacuum/complexes srush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2088.40831758; Eh
	9-Nov-2018	/vacuum/complexes cngacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1475.79943217; Eh
	9-Nov-2018	/vacuum/complexes cnznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-376.304207609; Eh
	9-Nov-2018	/vacuum/complexes clcucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-750.578702277; Eh
	1-Sep-2023	1j	Xie, Jiale	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RM06	DEF2TZVP	-1342.1760974; Eh
	9-Nov-2018	/vacuum/complexes ch3-zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-432.563470887; Eh
	9-Nov-2018	/vacuum/complexes bryh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-433.547051761; Eh
	9-Nov-2018	/vacuum/complexes clnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2554.33425577; Eh
	9-Nov-2018	/vacuum/complexes spdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1213.09300997; Eh

Results 23921-23930 of 104471 (Search time: 0.016 seconds).