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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	5-Nov-2018	_H_hollow	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-
	27-Jun-2023	A4-Z	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-31G SDD GENECP*	-1670.86811156; Eh
	9-Nov-2018	/noDisp/complexes sin-fenilomeauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-825.1253962; Eh
	9-Nov-2018	/noDisp/complexes sin-sircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1302.3621216; Eh
	9-Nov-2018	/noDisp/complexes sin-coaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1629.7198629; Eh
	9-Nov-2018	/vacuum/complexes h2scunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-765.907684834; Eh
	9-Nov-2018	/vacuum/complexes h2scro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-712.092266601; Eh
	9-Nov-2018	/noDisp/complexes sin-clincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1382.633286; Eh
	5-Nov-2018	_Pt1_b_static	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-169.03231736; eV
	5-Nov-2018	_CN_hollow	Fako, Edvin	vasp; 5.3.3; 18Dez12 (build Mar 26 2013 14:08:17) complex	Single point	DFT	-	-193.52181153; eV

Results 21361-21370 of 103542 (Search time: 0.013 seconds).