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

Search

previous
1
...
2141
2142
2143
2144
2145
2146
2147
...
10355
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-nhcalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1849.4917522; Eh
	9-Nov-2018	/noDisp/complexes sin-oauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.1531534; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-84.7380753; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1109.7699876; Eh
	9-Nov-2018	/noDisp/complexes sin-ncspdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1305.9124413; Eh
	9-Nov-2018	/vacuum/complexes fenilclrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1183.42695126; Eh
	9-Nov-2018	/noDisp/complexes sin-ncspdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-962.2521197; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-369.2910979; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-535.3172073; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2181.3460604; Eh

Results 21431-21440 of 103542 (Search time: 0.013 seconds).