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

Search

previous
1
...
54
55
56
57
58
59
60
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	26-Oct-2017	/Other_Phosphines 5-I-PPh3	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-3522.20750246; Eh
	26-Oct-2017	/Other_Phosphines 5-I-PMe2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2371.44147589; Eh
	26-Oct-2017	/Toluene Toluenerad	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G**	-271.002248804; Eh
	11-Apr-2021	/N_sulfonylguanidine n1-ts1-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31+G(D)	-1405.15288042; Eh
	26-Oct-2017	/Other_Phosphines 5-I-PMePh2	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2946.82852389; Eh
	26-Oct-2017	/Other_Phosphines 6-I-PM2Ph	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-311+G(d,p)	-2139.79859270; Eh
	8-Nov-2018	/water/complexes aq-sime3rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2099.6321389; Eh
	8-Nov-2018	/water/complexes aq-sime3tame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-625.9354926; Eh
	8-Nov-2018	/water/complexes aq-sime3ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1848.4244136; Eh
	8-Nov-2018	/water/complexes aq-sime3wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1043.3437084; Eh

Results 561-570 of 12842 (Search time: 0.004 seconds).