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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 OiPr	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-193.764169360; Eh
	10-Mar-2021	/NEUTRAL 1cpin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-682.0614792; Eh
	10-Mar-2021	/NEUTRAL 1ames-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-763.7611441; Eh
	10-Mar-2021	/NEUTRAL 2b2pin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-900.9749634; Eh
	14-Oct-2021	/STEP-A/MeOH TSC	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-1618.36590500; Eh
	14-Oct-2021	/STEP-A/MeOH TSB	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-1131.33849545; Eh
	14-Oct-2021	/STEP-A/MeOH A	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-858.925287712; Eh
	14-Oct-2021	/STEP-A/MeOH TSA	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization TS	RwB97XD	6-31G(D,P)	-1618.35676855; Eh
	14-Oct-2021	/STEP-A/MeOH BneopOMe	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-487.006649808; Eh
	14-Oct-2021	/STEP-A/MeOH C	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1131.37759745; Eh

Results 91-100 of 167 (Search time: 0.001 seconds).