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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Nov-2017	Pd-TPP_TS3	Fako, Edvin	vasp; 5.4.4; 19Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-436.92592053; eV
	3-Nov-2017	Ph-_B_-OH	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-140.08042040; eV
	3-Nov-2017	Ph-_B_-OH_2_H2O	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-170.03125961; eV
	3-Nov-2017	Pd-TPP_TS1	Fako, Edvin	vasp; 5.4.4; 27Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	-	-	-524.32077792; 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
	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
	3-Nov-2017	Pd-TPP_y	Fako, Edvin	vasp; 5.4.4; 22Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-594.63499088; eV
	3-Nov-2017	Pd-atom_TS3	Fako, Edvin	vasp; 5.4.4; 30Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	-	-	-211.65617058; eV
	3-Nov-2017	Pd-atom_TS4	Fako, Edvin	vasp; 5.4.4; 29Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Single point	-	-	-146.63695072; eV
	3-Nov-2017	Pd-TPP_A3	Fako, Edvin	vasp; 5.4.4; 23Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-437.82065795; eV

Results 1-10 of 47 (Search time: 0.001 seconds).