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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/noDisp/complexes sin-ncsoso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-807.0833016; Eh
	9-Nov-2018	/vacuum/complexes fenilno2alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-2059.54050515; Eh
	12-Feb-2019	sa-IrPd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-411.17325763; eV
	12-Feb-2019	sa-IrOs-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-417.15505392; eV
	9-Nov-2018	/vacuum/complexes chch2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-892.827976327; Eh
	9-Nov-2018	/vacuum/complexes fenilclwco5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1325.24742794; Eh
	9-Nov-2018	/vacuum/complexes bpinrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-746.223229572; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-820.9918373; Eh
	9-Nov-2018	/vacuum/complexes chch2ZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-2426.44986546; Eh
	9-Nov-2018	/vacuum/complexes fenilclpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1162.39645946; Eh

Results 21441-21450 of 103542 (Search time: 0.012 seconds).