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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	10-Aug-2020	AlCo4-Evac-b3lyp-hs-pcmbb	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UB3LYP	LANL2DZ 6-31G(D) 6-31G(D,P) GEN	-7484.30149916; Eh
	3-May-2019	Fe-13-OH	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2495.82031738; Eh
	3-May-2019	Ru-2-VAC	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1801.39498429; Eh
	3-May-2019	Ru-2-O5	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1876.35423679; Eh
	3-May-2019	Ru-3-VAC	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	RTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1540.69336406; Eh
	3-May-2019	Ru-8-OH	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2396.60739850; Eh
	3-May-2019	Ru-8-O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2395.96727626; Eh
	3-May-2019	Mn-12-OOHd	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2070.53792650; Eh
	3-May-2019	Mn-12-VAC-octet	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-1919.59469966; Eh
	3-May-2019	Fe-13-O	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	lanl2dz; 6-31g(d); 6-31g(d,p); 6-31+g(d)	-2495.16849022; Eh

Results 1251-1260 of 1320 (Search time: 0.003 seconds).