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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2019	b3lyp-Co-16-H2O-II-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1765.70468173; Eh
	3-May-2019	b3lyp-Ru-2-H2O-II-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.76970068; Eh
	3-May-2019	b3lyp-Ru-2-H2O-III-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.59152185; Eh
	3-May-2019	bp86-Ru-2-H2O-II-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RBP86	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.87350192; Eh
	3-May-2019	bp86-Ru-2-H2O-III-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UBP86	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.69144733; Eh
	3-May-2019	b3lyp-Ru-9-OOHREDOXED-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2059.22985936; Eh
	3-May-2019	tpssh-Ru-2-H2O-III-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1877.66699071; Eh
	3-May-2019	b3lyp-Ru-9-OOH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2059.07501721; Eh
	10-Aug-2020	GeCo4-Evac-b3lyp-hs-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11148.5195613; Eh
	10-Aug-2020	GeCo4-Eooh-b3lyp-ls-pcmb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-11299.4347877; Eh

Results 1491-1500 of 1516 (Search time: 0.002 seconds).