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Preview	Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy	Solv.	Vibr.	Orb.
	14-Oct-2021	/STEP-A/iPrOH BpinBneop-OiPr	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-976.866669964; Eh
	14-Oct-2021	/STEP-A/iPrOH Product-iPrOH	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-720.132793607; Eh
	14-Oct-2021	/STEP-A/iPrOH TSC-iPrOH	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1696.98575797; Eh
	10-Mar-2021	/SUBSTRACT Cu-PPh3	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-1598.54805816; Eh
	10-Mar-2021	/COPPER 1cpin-Cu	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-2280.1969394; Eh
	10-Mar-2021	/SUBSTRACT Bromoethane	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	LANL2DZ 6-31G(D,P) GENECP	-92.3950565867; Eh
	10-Mar-2021	/SUBSTRACT Cp-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-194.042296726; Eh
	10-Mar-2021	/ANIONIC 1ames	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-763.161976370; Eh
	10-Mar-2021	/ANIONIC 1cdan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	6-31G(D,P)	-790.476028284; Eh
	10-Mar-2021	/ANIONIC 1adan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-559.4650399; Eh

Results 591-600 of 2546 (Search time: 0.001 seconds).