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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-May-2022	/AuPd-CuPd-NiAl Cu3Pd(100)-p(3x3)-CuPd-2CO	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-317.56440247; eV
	9-Nov-2018	/vacuum/complexes nh3crh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-525.240248159; Eh
	9-Nov-2018	/vacuum/complexes nh3zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-449.030688414; Eh
	9-Nov-2018	/vacuum/complexes ncszrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-883.756963697; Eh
	9-Nov-2018	/vacuum/complexes nh3gacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1439.42052320; Eh
	9-Nov-2018	/vacuum/complexes nh3ptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-519.149848920; Eh
	9-Nov-2018	/vacuum/complexes cchzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1684.68815514; Eh
	9-Nov-2018	/vacuum/complexes nhccucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-516.471271847; Eh
	9-Nov-2018	/vacuum/complexes cchznnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-360.224831101; Eh
	9-Nov-2018	/vacuum/complexes nchcrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-562.115624103; Eh

Results 25241-25250 of 104445 (Search time: 0.016 seconds).