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

Search

previous
1
...
598
599
600
601
602
603
604
...
1285
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 nh2zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-448.638992910; Eh
	9-Nov-2018	/vacuum/complexes ofenoaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1746.42968178; Eh
	9-Nov-2018	/vacuum/complexes scnnipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2585.16645676; Eh
	9-Nov-2018	/vacuum/complexes nh2hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-232.501563538; Eh
	9-Nov-2018	/vacuum/complexes nme3snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-297.422438883; Eh
	9-Nov-2018	/vacuum/complexes hecuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-240.158261904; Eh
	30-Apr-2019	NCMe	Funes-Ardoiz, Ignacio	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G**	-132.8027199; Eh
	9-Nov-2018	/vacuum/complexes nme3nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2268.51409828; Eh
	9-Nov-2018	/vacuum/complexes imidazolincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1148.41062687; Eh
	9-Nov-2018	/vacuum/complexes imidazolzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1834.24748466; Eh

Results 6001-6010 of 12842 (Search time: 0.006 seconds).