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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes nh2ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-518.563048990; Eh
	26-Aug-2024	geom222_nox_w8_LLT	García-Padilla, Eduardo	Gaussian; 16; AM64L-G16RevA.03	Single point Structure	RB3LYP	6-31G(D)	-934.9650308; Eh
	9-Nov-2018	/vacuum/complexes nme3fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1679.32174453; Eh
	9-Nov-2018	/vacuum/complexes nh2fecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1560.74166903; Eh
	9-Nov-2018	/vacuum/complexes nh2nipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2150.01954231; Eh
	9-Nov-2018	/vacuum/complexes imidazolaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-454.909088727; Eh
	9-Nov-2018	/vacuum/complexes nh2agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-429.190483884; Eh
	9-Nov-2018	/vacuum/complexes nme3aucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1690.93360881; Eh
	9-Nov-2018	/vacuum/complexes heptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-465.447263985; Eh
	20-Feb-2024	/CsSnX3/CsSnBr3/Tetragonal PBE-SOC	Echeverria, Carlos	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:43:14) complex	Single point	DFT	-	-64.31761481; eV

Results 22361-22370 of 103529 (Search time: 0.013 seconds).