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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	18-Sep-2019	screen_PtCl-keto2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1981.93567656; eV
	18-Sep-2019	screen_Au-din3	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1992.29793800; eV
	18-Sep-2019	screen_Au-epo2	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2015.85303234; eV
	18-Sep-2019	screen_Au-din4	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-1983.85226126; eV
	18-Sep-2019	screen_Au-epo	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-2011.58230551; eV
	8-May-2017	Ru-6-02	García Muelas, Rodrigo	vasp; 5.3.3; 18Dez12 (build Apr 2 2013 14:53:31) complex	Improved Dimer Method	-	-	-351.78031538; eV
	1-Dec-2017	/NMR_IR/IR/BP86/TBDH_HCO3/Opt_Freq Opt_Freq	González Fabra, Joan	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RBP86	-	-704.104642814; Eh
	11-May-2018	/metastable1h2o_with_cesium NB10_Cs_C1_CDOWN_freq	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RPBE1PBE	-	-2874.32441530; Eh
	11-May-2018	/positionsp1p2p3 NB10_Rb_opt_freq_pos3_ra	Segado, Mireia	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RPBE1PBE	-	-2701.42999437; Eh
	16-Jan-2026	/FG_dataset/group2/pt/111 pt-4811-b	Morandi, Santiago	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-356.00017855; eV

Results 21431-21440 of 104508 (Search time: 0.012 seconds).