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Item hits:

Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	2-Mar-2022	38-T	Laconsay, Croix	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-311++G(D,P)	-
	2-Mar-2022	38-39-TSS-T	Laconsay, Croix	Gaussian; 16; ES64L-G16RevC.01	Single point Structure	UwB97XD	6-311++G(D,P)	-
	27-Jul-2021	/Cy_OH_2H 2-Cy-OH-2H	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-1983.91214750; Eh
	18-Mar-2022	TEOA_cat-rad	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	GEN	-517.714884767; Eh
	18-Mar-2022	TEOA-rad	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	GEN	-517.257042393; Eh
	12-May-2022	CO-opt-benzene	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2272.75255402; Eh
	18-Mar-2022	TS-CO2RR-TEOAassisted	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Single point TS	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2078.87856190; Eh
	18-Mar-2022	5b	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1372.44365062; Eh
	12-May-2022	PMe3-opt-benzene	Peñas-Defrutos, Marconi N.	Gaussian; 09; ES64L-G09RevE.01	Geometry optimization Minimum	UwB97XD	LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN	-2620.52251722; Eh
	18-Mar-2022	PW12-2e	Solé-Daura, Albert	Gaussian; 16; ES64L-G16RevC.01	Geometry optimization Structure	UwB97XD	GEN	-4166.87664205; Eh

Results 271-280 of 562 (Search time: 0.002 seconds).