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

Search

previous
1
...
431
432
433
434
435
436
437
...
1285
next

Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-nh3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-535.3172073; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2181.3460604; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-807.0833016; Eh
	9-Nov-2018	/vacuum/complexes fenilno2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-2059.54050515; Eh
	9-Nov-2018	/vacuum/complexes chch2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-892.827976327; Eh
	9-Nov-2018	/vacuum/complexes fenilclwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1325.24742794; Eh
	9-Nov-2018	/vacuum/complexes bpinrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-746.223229572; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-820.9918373; Eh
	9-Nov-2018	/vacuum/complexes chch2ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2426.44986546; Eh
	9-Nov-2018	/vacuum/complexes fenilclpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1162.39645946; Eh

Results 4331-4340 of 12842 (Search time: 0.005 seconds).