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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-Oct-2019	THF_sp2_ts_pdpme32_c_cis	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Single point Structure	-	6-31+G(D,P) SDD	-3853.28180446; Eh
	3-Oct-2019	THF_sp2_ts_pdpf32_s_cis2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-4213.01287282; Eh
	3-Oct-2019	THF_sp2_ts_pdpf3_s_cis2	Besora, Maria	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization TS	RB3LYP	6-31+G(D,P) SDD GEN	-3572.01929560; Eh
	9-Nov-2018	/vacuum/complexes nchpdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-564.546224815; Eh
	9-Nov-2018	/vacuum/complexes nchmno3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-423.057814132; Eh
	9-Nov-2018	/vacuum/complexes nchznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-360.251047149; Eh
	9-Nov-2018	/vacuum/complexes iznch3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-278.541919426; Eh
	9-Nov-2018	/vacuum/complexes ioso3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-327.466124626; Eh
	9-Nov-2018	/vacuum/complexes halcl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g*	-1623.93547388; Eh
	8-May-2019	/FeN4-OH FeN4-OH-clean	Prslja, Paulina	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex	Geometry optimization	DFT	-	-661.90131354; eV

Results 25531-25540 of 103529 (Search time: 0.015 seconds).