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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	11-Nov-2022	Ta_Sulfido_C_triplet	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.56996278; Eh
	11-Nov-2022	Ta_Sulfido_6	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-3846.69194609; Eh
	11-Nov-2022	Ta_Sulfido_D	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.56717194; Eh
	11-Nov-2022	Ta_Sulfido_B	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.57146099; Eh
	11-Nov-2022	Ta_Sulfido_C	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.56996278; Eh
	11-Nov-2022	Ta_Sulfido_BP	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.57631119; Eh
	11-Nov-2022	Ta_Sulfido_TSBC_triplet	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	UPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.52494610; Eh
	11-Nov-2022	Ta_Sulfido_TSFC	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.52284297; Eh
	11-Nov-2022	Ta_Sulfido_TSAB	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-2233.79583309; Eh
	11-Nov-2022	Ta_Sulfido_E	Puiggalí I Jou, Jordi	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RPBE1PBE	LANL2DZ 6-31G(D,P) GENECP	-1962.53143922; Eh

Results 31-40 of 146 (Search time: 0.001 seconds).