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

Search

previous
1
...
2377
2378
2379
2380
2381
2382
2383
...
10393
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 imidazolzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1834.24748466; Eh
	9-Nov-2018	/vacuum/complexes nme3aucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-403.166464061; Eh
	9-Nov-2018	/vacuum/complexes nh2cuch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-293.271062691; Eh
	9-Nov-2018	/vacuum/complexes nh2zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1663.88750267; Eh
	9-Nov-2018	/vacuum/complexes imidazolcrh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-694.945258213; Eh
	9-Nov-2018	/vacuum/complexes hecrh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-471.515650046; Eh
	9-Nov-2018	/vacuum/complexes imidazolagnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-599.322615562; Eh
	9-Nov-2018	/vacuum/complexes hefecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1507.55404544; Eh
	9-Nov-2018	/vacuum/complexes heniph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-516.969888954; Eh
	9-Nov-2018	/vacuum/complexes oauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-554.155985638; Eh

Results 23791-23800 of 103928 (Search time: 0.014 seconds).