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Item hits:

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
8-May-2017	Ru-4-22	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-353.32810984; eV
8-May-2017	Ru-5-01	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-356.19130942; eV
8-May-2017	Ru-5-38	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-349.40851641; eV
8-May-2017	Ru-4-18	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Jan 30 2013 18:03:31) complex	Improved Dimer Method	-	-	-353.49083541; eV
18-Oct-2017	/Solvent_Toluene/V_Product V_Product	González Fabra, Joan	ADF; 2016	Single point	DFT	TZ2P	-
18-Oct-2017	/1V/ICs/IC_HLigand IC_HLigand	González Fabra, Joan	ADF; 2016	Geometry optimization Minimum	DFT	TZ2P	-
27-Feb-2018	K-Br-spiroC5-3THF-I6	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	-	6-311++g**	-3403.62123284; Eh
27-Feb-2018	B-OtBu	Ni, Shaofei	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RwB97XD	-	-487.128328138; Eh
2-Aug-2018	MDsnap_trimer2_3200	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2222.40891086; eV
6-May-2019	CP-2Pd-i36	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-1078.04692597; eV

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