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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-Nov-2018	/water/complexes aq-shrush4	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2089.162411; Eh
	23-Jan-2018	/in_toluene Pd(PR3)2(Toluene)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-2469.83445346; Eh
	23-Jan-2018	/in_toluene Pd(PR3)(Tolune)	Besora, Maria	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-1434.49019594; Eh
	23-Jan-2018	/in_toluene Pd(PR3)2	Besora, Maria	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-2198.58256371; Eh
	23-Jan-2018	/in_toluene PdPPh3	Besora, Maria	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-1163.22777196; Eh
	23-Jan-2018	/in_vacuum Pd(PR3)	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g; SDD	-1163.20734240; Eh
	23-Jan-2018	/in_toluene PR3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g**	-1035.28885760; Eh
	23-Jan-2018	/in_vacuum PR3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g**	-1035.27006098; Eh
	23-Jan-2018	/in_toluene Toluene	Besora, Maria	Gaussian; 09; ES64L-G09RevD.01	Geometry optimization Minimum	RPBEPBE	6-31+g**	-271.225658512; Eh
	16-Jul-2018	Edge_CO@O_Au	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2353.02582820; eV

Results 10741-10750 of 104592 (Search time: 0.009 seconds).