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

Search

previous
1
...
443
444
445
446
447
448
449
...
995
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 ocro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-387.933165282; Eh
	3-Oct-2019	water_sp2_ts_pdph3_c_trans2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.17884104; Eh
	9-Nov-2018	/vacuum/complexes piridinazrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-640.781394065; Eh
	9-Nov-2018	/vacuum/complexes scnincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1413.44214373; Eh
	9-Nov-2018	/vacuum/complexes ph3niph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-857.252467640; Eh
	9-Nov-2018	/vacuum/complexes piridinaaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-476.974873256; Eh
	9-Nov-2018	/vacuum/complexes ozncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1682.87053915; Eh
	9-Nov-2018	/vacuum/complexes ogacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1458.06650696; Eh
	9-Nov-2018	/vacuum/complexes piridinanipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2342.32151886; Eh
	9-Nov-2018	/vacuum/complexes ph3cuch3_2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-580.426429807; Eh

Results 4451-4460 of 9943 (Search time: 0.004 seconds).