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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	9-Nov-2018	/vacuum/complexes sime3fecl3-bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1914.01048471; Eh
	9-Nov-2018	/vacuum/complexes smefecl3bai	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-1942.91600838; Eh
	9-Nov-2018	/vacuum/complexes sime3znnh3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-692.791133885; Eh
	9-Nov-2018	/vacuum/complexes tiofenocucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-843.240396912; Eh
	9-Nov-2018	/vacuum/complexes smeaucn	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-666.878252778; Eh
	9-Nov-2018	/vacuum/complexes ph3pdph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-814.273678073; Eh
	9-Nov-2018	/vacuum/complexes smeptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-900.757696399; Eh
	6-Aug-2020	/freq/intermediates/Ag/Cl hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-103.36799447; eV
	27-Jun-2023	SP_tsZ-A4	García-Padilla, Eduardo	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-311+G(D,P) SDD GENECP	-1671.202751; Eh
	9-Nov-2018	/vacuum/complexes ph3feco4axial	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-920.474659929; Eh

Results 15901-15910 of 104515 (Search time: 0.012 seconds).