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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	28-Aug-2021	Ru_41a_1_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1576.26353428; Eh
	28-Aug-2021	Ru_3a1_9_O5	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Single point Structure	-	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D)	-1595.53769752; Eh
	28-Aug-2021	Ru_3a1_8_oxo_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1749.37002367; Eh
	28-Aug-2021	Ru_3a1_4_oxo_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1715.40855958; Eh
	28-Aug-2021	Ru_3a1_28_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1598.05453213; Eh
	28-Aug-2021	Ru_3a1_27_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1460.40487528; Eh
	28-Aug-2021	Ru_3a1_27_O5	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1459.54942977; Eh
	28-Aug-2021	Ru_3a1_26_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1614.06611994; Eh
	28-Aug-2021	Ru_3a1_24_OH_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1349.73253291; Eh
	28-Aug-2021	Ru_3a1_23_oxo_LS	Craig, Michael	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UTPSSh	6-31G(D,P) 6-31G(D) LANL2DZ 6-31+G(D) GEN	-1502.75282371; Eh

Results 121-130 of 999 (Search time: 0.002 seconds).