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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	6-Aug-2020	/freq/intermediates/Ag/CHF hcp	Pablo-García, Sergio	vasp; 5.4.4; 18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex	Frequencies	DFT	-	-115.00019500; eV
	9-Nov-2018	/vacuum/complexes ph3crh2o5triplete	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	UB3LYP	6-31+g; sdd*	-811.812538214; Eh
	9-Nov-2018	/vacuum/complexes h2snipf33	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-2493.39555561; Eh
	9-Nov-2018	/vacuum/complexes piridinagacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1631.16489057; Eh
	9-Nov-2018	/vacuum/complexes ph3zrome3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-735.586630088; Eh
	9-Nov-2018	/vacuum/complexes ph3snme3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-466.044077200; Eh
	9-Nov-2018	/vacuum/complexes piridinaptph3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-710.890486392; Eh
	9-Nov-2018	/vacuum/complexes ohgacl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point Structure	RB3LYP	6-31+g; sdd*	-1458.78482884; Eh
	9-Nov-2018	/vacuum/complexes h2sincl2	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1321.49834363; Eh
	9-Nov-2018	/vacuum/complexes ohzncl3	Besora, Maria	Gaussian; 09; EM64L-G09RevD.01	Single point TS	RB3LYP	6-31+g; sdd*	-1683.77461096; Eh

Results 23821-23830 of 103928 (Search time: 0.013 seconds).