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

Search

previous
1
...
2112
2113
2114
2115
2116
2117
2118
...
10355
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-copdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-928.0523335; Eh
	9-Nov-2018	/water//water complexes aq-fauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-578.838053; Eh
	9-Nov-2018	/water//water complexes aq-coticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1552.2555809; Eh
	9-Nov-2018	/water//water complexes aq-comno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-443.0140239; Eh
	9-Nov-2018	/noDisp/complexes sin-ifecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1516.2349783; Eh
	9-Nov-2018	/water//water complexes aq-cltame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-676.9413816; Eh
	9-Nov-2018	/water//water complexes aq-cntame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-309.5356297; Eh
	9-Nov-2018	/noDisp/complexes sin-h2rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-492.6888942; Eh
	9-Nov-2018	/vacuum/complexes imidazolticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1665.15771974; Eh
	9-Nov-2018	/water//water complexes aq-cnfecl3-	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1597.889141; Eh

Results 21141-21150 of 103542 (Search time: 0.013 seconds).