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

Search

previous
1
...
1424
1425
1426
1427
1428
1429
1430
...
10459
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water//water complexes aq-clfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1037.7061161; Eh
	9-Nov-2018	/water//water complexes aq-ch3-nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-320.8391246; Eh
	9-Nov-2018	/water//water complexes aq-ch3-rush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1730.2430725; Eh
	9-Nov-2018	/water//water complexes aq-clnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-741.2022053; Eh
	9-Nov-2018	/water//water complexes aq-clauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-939.2188029; Eh
	9-Nov-2018	/water//water complexes aq-ch3-ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1479.0603467; Eh
	9-Nov-2018	/water//water complexes aq-clcro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-773.1394065; Eh
	9-Nov-2018	/water//water complexes aq-clZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2808.9964761; Eh
	9-Nov-2018	/water//water complexes aq-clk	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-488.6594718; Eh
	9-Nov-2018	/water//water complexes aq-ch3-ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-658.920773; Eh

Results 14261-14270 of 104583 (Search time: 0.01 seconds).