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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 chch2rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-570.157933437; Eh
	9-Nov-2018	/vacuum/complexes fenilclfeco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1268.64475167; Eh
	9-Nov-2018	/vacuum/complexes fenilclauph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1170.20889900; Eh
	9-Nov-2018	/vacuum/complexes fenilclnbnh24	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-972.172198228; Eh
	9-Nov-2018	/vacuum/complexes chch2wco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-711.974488851; Eh
	9-Nov-2018	/vacuum/complexes chch2k	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-106.274852686; Eh
	13-Apr-2023	/CO2-activation-5H2O PdMLPt(111)-(3x3)-near-K-OH-5H2O-Clean	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-332.17861890; eV
	9-Nov-2018	/vacuum/complexes chch2ptf5singlete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-696.682258448; Eh
	9-Nov-2018	/vacuum/complexes chch2cunh33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-444.864004749; Eh
	9-Nov-2018	/vacuum/complexes fenilclfecl2sextup	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	UB3LYP	6-31+g; sdd*	-1735.64725585; Eh

Results 15551-15560 of 104515 (Search time: 0.011 seconds).