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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-nh3oso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-372.0699272; Eh
	9-Nov-2018	/vacuum/complexes fenilno2pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-907.329615116; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3znch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-323.3976722; Eh
	9-Nov-2018	/noDisp/complexes sin-ok	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-103.4647124; Eh
	28-May-2022	/AuPd-CuPd-NiAl CuPd(100)-p(3x3)-Pd-COCH	Dattila, Federico	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-330.15898554; eV
	9-Nov-2018	/noDisp/complexes sin-nhcircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1130.1361965; Eh
	9-Nov-2018	/noDisp/complexes sin-oircoph32_nhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-979.3185532; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcZrCl5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2574.7293116; Eh
	9-Nov-2018	/vacuum/complexes fenilno2pdhph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1251.01413091; Eh
	9-Nov-2018	/noDisp/complexes sin-nhcpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-697.3291373; Eh

Results 15401-15410 of 104583 (Search time: 0.011 seconds).