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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	1-Dec-2017	/Mechanisms/OH_Insertion/Monometallic/Scans/Scan_FC_OH Scan_FC_OH	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RwB97XD	-	-2026.83161781; Eh
	8-May-2017	Pd-5-24	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-278.51076386; eV
	8-May-2017	Ru-8-07	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-355.15114672; eV
	8-May-2017	Cu-9-13	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Frequencies	-	-	-142.95857832; eV
	22-May-2018	/1-phenylphospholane_oxide_+_HSiPh3_in_toluene HSiPh3	Fianchini, Mauro	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RM062X	-	-985.021479610; Eh
	2-Aug-2018	MDsnap_trimer1_4960	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2221.47290751; eV
	17-May-2018	TS-C4	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Frequencies	PBE	-	-1110.29598550; eV
	17-May-2018	E	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Geometry optimization	PBE	-	-1087.10750893; eV
	17-May-2018	TS-C3	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Frequencies	PBE	-	-1109.65516875; eV
	17-May-2018	C9	Ortuño, Manuel	vasp; 5.3.5; 31Mar14 (build Jul 4 2017 09:52:38) complex	Frequencies	PBE	-	-1110.76640903; eV

Results 23021-23030 of 104508 (Search time: 0.015 seconds).