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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-nh3ircoph32	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-960.4621834; Eh
	9-Nov-2018	/noDisp/complexes sin-ncstame4piram	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-707.7493947; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsrhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-983.1781029; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3rhh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-548.1768891; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-484.2558691; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-758.1361143; Eh
	9-Nov-2018	/noDisp/complexes sin-ncsticl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1930.2226992; Eh
	9-Nov-2018	/noDisp/complexes sin-nh3alcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g*	-1679.8426826; Eh
	12-Feb-2019	sa-NiCd-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-254.07312740; eV
	12-Feb-2019	sa-NiAu-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-256.36675651; eV

Results 22841-22850 of 103529 (Search time: 0.024 seconds).