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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	8-May-2017	Pd-3-15	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-285.66461923; eV
	8-May-2017	Pd-5-36	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-278.43817430; eV
	9-Nov-2018	/vacuum/complexes ofenofecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1274.17400025; Eh
	3-Nov-2017	_B_-OH_2_H2O	Fako, Edvin	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-95.69419934; eV
	3-Nov-2017	Ph-Ph	Fako, Edvin	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-145.04101725; eV
	8-Nov-2018	/water/complexes aq-fenilomeincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1268.6033994; Eh
	8-May-2017	gas-1021	García Muelas, Rodrigo	vasp; 5.3.2; 13Sep12 (build Oct 24 2012 13:28:27) complex	Geometry optimization	-	-	-22.96215586; eV
	3-Nov-2017	H2O	Fako, Edvin	vasp; 5.3.5; 31Mar14 (build May 07 2014 17:30:20) gamma-only	Geometry optimization	-	-	-14.21914418; eV
	8-Nov-2018	/water/complexes aq-fenilometicl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1785.3406729; Eh
	23-Aug-2018	/ni3p2_ni2p/ts_methyl_but_ol c2h3+h_1	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-722.74108440; eV

Results 22121-22130 of 104508 (Search time: 0.025 seconds).