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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 nme3conh35	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-602.242222373; Eh
	9-Nov-2018	/vacuum/complexes nme3cro3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-487.235690877; Eh
	31-Jan-2018	Mg_PHI	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:55:02) gamma-only	Geometry optimization	-	-	-3139.67323582; eV
	1-Feb-2018	VO2P2O7_bulk	López, Núria	vasp; 5.3.5; 31Mar14 (build May 07 2014 16:01:45) complex	Geometry optimization	-	-	-819.03791944; eV
	11-Apr-2021	/Diels_Alder add-dma9-bq-gp	Sanchez Pladevall, Bruna	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization Minimum	RB3LYP	6-311++G(D,P)	-999.920409470; Eh
	7-Feb-2018	/BP_Opt/LaPr_NoLigands/Exp Exp	González Fabra, Joan	ADF; 2017	Geometry optimization	DFT	TZP	-
	7-Feb-2018	/SpinOrbit/PrLu/Exp Exp	González Fabra, Joan	ADF; 2017	Single point	DFT	TZP	-
	9-Nov-2018	/vacuum/complexes nme3auph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-653.258430941; Eh
	23-Aug-2018	/slabs/islanding/ni3p2 3_6_102	Li, Qiang	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Geometry optimization	DFT	-	-630.77606219; eV
	2-Aug-2018	MDsnap_dimer2_4420	Fako, Edvin	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Single point	DFT	-	-2219.48148633; eV

Results 13041-13050 of 103756 (Search time: 0.01 seconds).