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

Search

previous
1
...
2378
2379
2380
2381
2382
2383
2384
...
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 fenilomeznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-629.680014911; Eh
	6-Aug-2020	/freq/intermediates/Ag/CHF fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-114.99712807; eV
	27-Jun-2023	SP_Z-A4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1671.2399893; Eh
	9-Nov-2018	/vacuum/complexes fenilno2fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1940.93881300; Eh
	9-Nov-2018	/vacuum/complexes fenilclyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1111.34395636; Eh
	9-Nov-2018	/vacuum/complexes fenilno2incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1358.56552428; Eh
	9-Nov-2018	/vacuum/complexes fenilomeincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1268.58922776; Eh
	9-Nov-2018	/vacuum/complexes fenilclhgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-867.811170369; Eh
	9-Nov-2018	/vacuum/complexes fenilomecuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-583.501392082; Eh
	9-Nov-2018	/vacuum/complexes chch2ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-540.603036188; Eh

Results 23801-23810 of 104471 (Search time: 0.015 seconds).