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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	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
	3-May-2019	bp86-Ru-9-OOH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UBP86	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2059.15398480; Eh
	3-May-2019	b3lyp-Mn-12-doublewater-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1996.00402273; Eh
	3-May-2019	bp86-Ru-9-OOHREDOXED-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RBP86	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2059.31048657; Eh
	3-May-2019	TPSSH-Mn-12-doublewater-freqB	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1996.03870782; Eh
	3-May-2019	TPSSH-Mn-12-doublewaterminuselectron-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1995.84010535; Eh

Results 141-150 of 153 (Search time: 0.001 seconds).