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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Jan-2018	/no_Dispersion Pd(PR3)(Toluene)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-1434.45531619; Eh
	23-Jan-2018	/no_Dispersion Pd(PR3)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-1163.20317412; Eh
	23-Jan-2018	/no_Dispersion PR3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g**	-1035.26958225; Eh
	23-Jan-2018	/no_Dispersion Toluene	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g**	-271.220999051; Eh
	8-Nov-2018	/water/complexes aq-scnrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2181.4210444; Eh
	16-Jul-2018	Edge_OH@OH_AuCl	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-
	23-Jan-2018	/in_vacuum Pd(PR3)2(Toluene)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-2469.79600236; Eh
	23-Jan-2018	/in_vacuum Pd(PR3)(Toluene)2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-1705.70118510; Eh
	23-Jan-2018	/no_Dispersion Pd(PR3)2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-2198.53022815; Eh
	23-Jan-2018	/in_vacuum Pd(PR3)(Toluene)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-1434.46449406; Eh

Results 12651-12660 of 104079 (Search time: 0.01 seconds).