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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-May-2017	Ru-6-12	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-345.78516487; eV
27-Oct-2017	/DFT/Pathway_1 TS1_3_BS	Bandeira, Nuno	ADF; 2016	TS	DFT	TZP; DZP	-45.91479900; Eh
29-Feb-2016	FCb-trans-cis-solv	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB97D3	6-311G**	-2464.26144342; Eh
27-Oct-2017	/DFT/Pathway_1 1_5	Bandeira, Nuno	ADF; 2016	Geometry optimization TS	DFT	TZP; DZP	-
17-Oct-2017	/reactions/ni fs_a14	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.10672956; eV
17-Oct-2017	/reactions/ni ts_b12	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.38425960; eV
17-Oct-2017	/reactions/ni ts_b45	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-591.81141924; eV
17-Oct-2017	/reactions/ni B	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-698.06939772; eV
17-Oct-2017	/reactions/ni D	Li, Qiang	vasp; 5.3.3; 18Dez12 (build Mar 2 2016 16:13:58) complex	Single point	-	-	-697.67070931; eV
27-Oct-2017	/DFT/Pathway_1 1_7_Kubas_di-hydride_attempt_S=1	Bandeira, Nuno	ADF; 2016	Geometry optimization	DFT	TZP; DZP	-45.48058199; Eh

Results 2361-2370 of 104079 (Search time: 0.004 seconds).