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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	3-May-2019	Mn-11-OH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1302.81634822; Eh
	3-May-2019	Fe-14-VAC-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1041.68796768; Eh
	3-May-2019	Mn-11-OOH-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1377.94981506; Eh
	3-May-2019	b3lyp-Mn-12-doublewaterminuselectron-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1995.78879727; Eh
	3-May-2019	tpssh-Co-16-H2O-II-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1765.75801030; Eh
	3-May-2019	tpssh-Co-16-H2O-II-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1765.75801030; Eh
	3-May-2019	tpssh-Co-16-OH-III-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1765.12275708; Eh
	3-May-2019	bp86-Co-16-H2O-II-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UBP86	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1765.76085449; Eh
	3-May-2019	bp86-Co-16-OH-III-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	RBP86	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1765.15919352; Eh
	10-Aug-2020	Ni_N-PCo3-Eooh-b3lyp-ls-pcmbb-freq	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7856.63374354; Eh

Results 1481-1490 of 1516 (Search time: 0.002 seconds).