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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 pme3zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2069.13154914; Eh
	16-Jan-2026	/FG_dataset/amidines/au/111 au-4aZ4-a	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-241.82382742; eV
	9-Nov-2018	/vacuum/complexes pf3fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-2145.79984512; Eh
	9-Nov-2018	/vacuum/complexes pf3incl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1563.06274197; Eh
	9-Nov-2018	/vacuum/complexes omefecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1619.93555932; Eh
	9-Nov-2018	/vacuum/complexes pcl3ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2184.59906024; Eh
	9-Nov-2018	/vacuum/complexes pme3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1977.58121489; Eh
	9-Nov-2018	/vacuum/complexes omeyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-535.297921999; Eh
	9-Nov-2018	/vacuum/complexes pf3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2157.39282663; Eh
	9-Nov-2018	/vacuum/complexes pcl3zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-3330.01574503; Eh

Results 23731-23740 of 103928 (Search time: 0.013 seconds).