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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Mar-2020	/Paper/Outputs_Inputs_CGET/TSS17_S18 TSS17-S18	García, Cristina	Gaussian; 09; EM64L-G09RevD.01	Geometry optimization TS	RwB97XD	6-31G(D,P) LANL2DZ GENECP	-1301.17178878; Eh
	9-Nov-2018	/vacuum/complexes cchyh2o5	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-496.853692518; Eh
	9-Nov-2018	/vacuum/complexes ncsptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-953.725591645; Eh
	9-Nov-2018	/vacuum/complexes nh3fecl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1561.26458332; Eh
	9-Nov-2018	/vacuum/complexes ncshgi2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-667.629217302; Eh
	9-Nov-2018	/vacuum/complexes cchsnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-199.876646686; Eh
	9-Nov-2018	/vacuum/complexes nchsnme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-216.332258231; Eh
	9-Nov-2018	/vacuum/complexes cchptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-539.379278335; Eh
	9-Nov-2018	/vacuum/complexes ncsaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-719.836693378; Eh
	9-Nov-2018	/vacuum/complexes icrh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-480.455940951; Eh

Results 23901-23910 of 103928 (Search time: 0.013 seconds).