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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF 4Fe-THF-SMD	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2043.49166739; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF I4Fe	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2220.16092166; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF I5Fe	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2220.19310875; Eh
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF 1Fe	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1172.79023396; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF 2Fe	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2519.11004849; Eh
	9-Oct-2023	RuIIIbpy3_e	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-1579.37874701; Eh
	9-Oct-2023	RuIIbpy3_e	Penas, Francesc	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-1579.56170257; Eh
	9-Oct-2023	RuIIIbpy3	Penas, Francesc	Gaussian; 16; ES64L-G16RevC.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GEN	-1579.25564214; Eh
	23-Dec-2023	/CoTMP2_pathways/no-explicit-THF 4Co-THF-SMD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2562.38861205; Eh
	23-Dec-2023	/CoTMP2_pathways/no-explicit-THF 4Co-THF	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-2065.13187229; Eh

Results 321-330 of 349 (Search time: 0.002 seconds).