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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	23-Dec-2023	/CoTMP2_pathways/explicit-noncoordinating-THF I2Co	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1922.67988972; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF I1Fe-SMD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1668.61257345; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF I2Fe-SMD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1668.63250277; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF TS1Fe-SMD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1668.58755865; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF I3Fe	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1491.93909701; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF 1Fe-THF	Mu, Manting	Gaussian; 09; EM64L-G09RevA.02	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1172.80733400; Eh
	23-Dec-2023	/FeTMP2_pathways/no-explicit-THF 1Fe-SMD	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-940.390681714; Eh
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF forward_displacement_of_alternative_TS1	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1901.01364843; Eh
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF I2Fe	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1901.03704875; Eh
	23-Dec-2023	/FeTMP2_pathways/explicit-noncoordinating-THF Alternative_TS1	Mu, Manting	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization TS	UwB97XD	LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN	-1901.00559983; Eh

Results 191-200 of 229 (Search time: 0.003 seconds).