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

Search

previous
1
...
1032
1033
1034
1035
1036
1037
1038
...
10408
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Bicarb_Ep Bicarb_Ep	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-725.233316370; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_2Water_CC Scan_2Water_CC	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-877.833789613; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_Water Scan_Water	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-533.132269063; Eh
	1-Dec-2017	/Mechanisms/Side_Intermediates/Carb_HBond_OC_HL Carb_HBond_OC_HL	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.45424509; Eh
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_FC3/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-3596.13102187; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_2_5/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.703427552; Eh
	1-Dec-2017	/Mechanisms/No_Al/Uncatalyzed/Scans/Scan_2/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-456.600304280; Eh
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_FC_isom/Zoom Zoom	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	-	-2026.91646041; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_Water_CC2 Scan_Water_CC2	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-533.100216614; Eh
	1-Dec-2017	/Mechanisms/No_Al/Water_Catalyzed/Scans/Scan_2Water_CC/Frozen Frozen	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Minimum	-	-	-877.857643414; Eh

Results 10341-10350 of 104079 (Search time: 0.008 seconds).