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

Search

previous
1
...
444
445
446
447
448
449
450
...
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 sih3-aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-520.055852697; Eh
	9-Nov-2018	/noDisp/complexes sin-ch3-k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-68.193002; Eh
	9-Nov-2018	/noDisp/complexes sin-brconh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-441.5980569; Eh
	9-Nov-2018	/vacuum/complexes sih3-agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-664.547763480; Eh
	9-Nov-2018	/noDisp/complexes sin-bralcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1636.7949563; Eh
	9-Nov-2018	/noDisp/ligands sin-bpinb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-253.9480486; Eh
	9-Nov-2018	/noDisp/ligands sin-pcl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1721.9912137; Eh
	9-Nov-2018	/noDisp/ligands sin-ncsb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-491.1133992; Eh
	9-Nov-2018	/noDisp/ligands sin-heb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-2.9070489; Eh
	9-Nov-2018	/noDisp/ligands sin-shb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-398.8244701; Eh

Results 4461-4470 of 12842 (Search time: 0.006 seconds).