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

Search

previous
1
...
491
492
493
494
495
496
497
...
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 pme3zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-853.583373516; Eh
	9-Nov-2018	/vacuum/complexes pf3hgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-817.452997397; Eh
	9-Nov-2018	/vacuum/complexes pme3crh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-929.809519857; Eh
	9-Nov-2018	/vacuum/complexes pf3crh2o5trip	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1109.63540916; Eh
	9-Nov-2018	/vacuum/complexes pme3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1843.97518376; Eh
	9-Nov-2018	/vacuum/complexes pme3snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-584.045363867; Eh
	9-Nov-2018	/vacuum/complexes pf3znnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-923.996155351; Eh
	9-Nov-2018	/vacuum/complexes omezrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-507.838738269; Eh
	9-Nov-2018	/vacuum/complexes omehgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-291.679599190; Eh
	9-Nov-2018	/vacuum/complexes ohnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-356.791698912; Eh

Results 4931-4940 of 12842 (Search time: 0.006 seconds).