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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 shcucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-689.143825373; Eh
	9-Nov-2018	/vacuum/complexes shaucl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1915.35283393; Eh
	9-Nov-2018	/vacuum/complexes scucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-688.432577555; Eh
	12-Feb-2019	sa-CdCo-0011	García Muelas, Rodrigo	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-47.87958856; eV
	3-Oct-2019	water_sp2_ts_pdph3_c_trans	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3274.17884105; Eh
	3-Oct-2019	water_sp2_ts_pdpme32_c_transnoulliu_fromDMF_calcall3	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28396878; Eh
	9-Nov-2018	/vacuum/complexes nh2fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1560.68319298; Eh
	9-Nov-2018	/vacuum/complexes imidazolsnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-349.171300950; Eh
	9-Nov-2018	/vacuum/complexes nme3agnhc	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-547.572534931; Eh
	9-Nov-2018	/vacuum/complexes nme3zncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1782.52315723; Eh

Results 22341-22350 of 103529 (Search time: 0.013 seconds).