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

Search

previous
1
...
2351
2352
2353
2354
2355
2356
2357
...
10393
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 scnmosh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1755.72224957; Eh
	9-Nov-2018	/vacuum/complexes h2salcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2022.64297411; Eh
	6-Aug-2020	/freq/intermediates/Ag/I fcc	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.06256785; eV
	9-Nov-2018	/vacuum/complexes fenilno2ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2784.66891498; Eh
	9-Nov-2018	/vacuum/complexes scnfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1535.48034770; Eh
	9-Nov-2018	/vacuum/complexes piridinaznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-515.157500371; Eh
	9-Nov-2018	/vacuum/complexes piridinapdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-719.421133961; Eh
	9-Nov-2018	/vacuum/complexes scnpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-962.250637639; Eh
	9-Nov-2018	/vacuum/complexes scnnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-771.996032360; Eh
	9-Nov-2018	/vacuum/complexes scnmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-820.982197897; Eh

Results 23531-23540 of 103928 (Search time: 0.012 seconds).