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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes scnoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-807.039262970; Eh
	9-Nov-2018	/vacuum/complexes scnalcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-2114.43209016; Eh
	9-Nov-2018	/vacuum/complexes fenilno2ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2784.66891498; Eh
	16-Jan-2026	/FG_dataset/group2/ni/111 ni-3811-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-314.59575667; eV
	9-Nov-2018	/vacuum/complexes fenilno2ticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1875.30322168; Eh
	9-Nov-2018	/vacuum/complexes piridinapdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-719.421133961; Eh
	9-Nov-2018	/vacuum/complexes scnpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-962.250637639; Eh
	9-Nov-2018	/vacuum/complexes scnmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-820.982197897; Eh
	9-Nov-2018	/vacuum/complexes scncro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-803.881416695; Eh
	9-Nov-2018	/vacuum/complexes salcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-2021.50717865; Eh

Results 15331-15340 of 104583 (Search time: 0.011 seconds).