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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	22-Aug-2018	/ads_sn2_Co_Cu2 fs	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-581.43014674; eV
	22-Feb-2020	TSXXI_XXII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2906.41343448; Eh
	22-Feb-2020	IX	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-3060.32105072; Eh
	22-Feb-2020	TSXXI_XXII_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-2907.2776864; Eh
	15-Oct-2018	3_4-OPBE	Fernández, Víctor	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	UOPBE	6-31+g(d)	-1361.80941188; Eh
	19-Sep-2018	/2_electrons/1_H+/Mo2O2S8H B2	Bandeira, Nuno	ADF; 2017	Geometry optimization TS	DFT	TZ2P	-3.22156685; Eh
	22-Feb-2020	XVIII	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	LANL2DZ 6-31G(D,P) GENECP	-2981.42785030; Eh
	22-Feb-2020	XVIII_sp_basisset	García, Cristina	Gaussian; 09	Single point Structure	RB3LYP	GENECP	-2982.311346; Eh
	5-Nov-2018	_F1_h	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-168.49131181; eV
	5-Nov-2018	_F1_b	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-168.69676780; eV

Results 16911-16920 of 104512 (Search time: 0.011 seconds).