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

Search

previous
1
...
567
568
569
570
571
572
573
...
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-sime3k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-437.5679603; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-837.4696512; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-725.3699481; Eh
	9-Nov-2018	/noDisp/complexes sin-ph3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1265.2606954; Eh
	9-Nov-2018	/noDisp/complexes sin-scnaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2007.5899269; Eh
	9-Nov-2018	/vacuum/complexes h2sptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1018.11688688; Eh
	9-Nov-2018	/noDisp/complexes sin-orhh2o5_new2_fix2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-567.6820135; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3fecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1453.6645824; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1313.3686496; Eh
	9-Nov-2018	/noDisp/complexes sin-sime3nbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-690.1736331; Eh

Results 5691-5700 of 12842 (Search time: 0.005 seconds).