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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	17-Oct-2017	/reactions/ni fs_a15	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.95901331; eV
	17-Oct-2017	/reactions/niru ts_b11	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-701.20251997; eV
	28-Nov-2017	ol-RuCd-2215	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-356.25948923; eV
	3-Nov-2017	Pd-TPP_z	Fako, Edvin	vasp; 5.4.4; 21Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-595.83806977; eV
	28-Nov-2017	ol-RuAg-0111	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 17 2013 15:17:09) complex	Geometry optimization	-	-	-357.76972238; eV
	28-Nov-2017	ol-RuAg-0000	García Muelas, Rodrigo	vasp; 5.3.5; 31Mar14 (build Jun 1 2014 07:54:15) complex	Geometry optimization	-	-	-347.67609007; eV
	17-Oct-2017	/reactions/ni fs_a16	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-595.73847433; eV
	3-Nov-2017	Pd-TPP_a	Fako, Edvin	vasp; 5.4.4; 28Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-524.62983533; eV
	8-May-2017	Ru-2-19	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-353.74622269; eV
	27-Oct-2017	/DFT/Methanol 3_2_1	Bandeira, Nuno	ADF; 2016	Geometry optimization Minimum	DFT	TZP; DZP	-23.71919655; Eh

Results 19071-19080 of 104510 (Search time: 0.011 seconds).