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

Search

previous
1
...
1147
1148
1149
1150
1151
1152
1153
...
1236
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/water/metal_frag aq-rush4b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1690.1823713; Eh
	9-Nov-2018	/water/metal_frag aq-znch3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-266.9221951; Eh
	9-Nov-2018	/water/metal_frag aq-mno3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-329.6630433; Eh
	9-Nov-2018	/water/metal_frag aq-alcl3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1623.2351972; Eh
	9-Nov-2018	/water/ligands aq-sime3b3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-409.3312962; Eh
	9-Nov-2018	/water/ligands aq-piridinab3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-248.3011298; Eh
	9-Nov-2018	/water/ligands aq-shb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-398.9308012; Eh
	9-Nov-2018	/vacuum/complexes henbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-283.619443253; Eh
	9-Nov-2018	/water/ligands aq-ncsb3lyp	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-491.2041853; Eh
	9-Nov-2018	/noDisp/complexes sin-h2nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-281.8740191; Eh

Results 11491-11500 of 12354 (Search time: 0.009 seconds).