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

Search

previous
1
...
507
508
509
510
511
512
513
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-h2ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1439.9750298; Eh
	9-Nov-2018	/noDisp/complexes sin-h2znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-267.9355335; Eh
	9-Nov-2018	/noDisp/complexes sin-hetame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-219.2505109; Eh
	9-Nov-2018	/noDisp/complexes sin-herush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1693.0683464; Eh
	9-Nov-2018	/noDisp/complexes sin-heZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2351.4153278; Eh
	9-Nov-2018	/noDisp/complexes sin-heznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-269.6587654; Eh
	9-Nov-2018	/noDisp/complexes sin-heticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1441.695714; Eh
	9-Nov-2018	/noDisp/complexes sin-hewco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-636.7850172; Eh
	9-Nov-2018	/noDisp/complexes sin-hfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1505.2939516; Eh
	30-Sep-2021	/Water/TS_water ch3och3-seh-ts_6311+Gd	Morán, Lucía	Gaussian; 16; AM64L-G16RevA.03	Geometry optimization TS	RB3LYP	6-311+G(D)	-2557.31461686; Eh

Results 5091-5100 of 12842 (Search time: 0.005 seconds).