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Showing results 506 to 525 of 866 < previous next >

Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
10-Mar-2021	/NEUTRAL 1adan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-560.1033967; 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 1aPhF-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1519.9219711; Eh
10-Mar-2021	/NEUTRAL 1apin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-451.085659; Eh
10-Mar-2021	/NEUTRAL 1bdan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-599.4055742; Eh
10-Mar-2021	/NEUTRAL 1bpin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-490.3876246; Eh
10-Mar-2021	/NEUTRAL 1cdan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-791.0807658; 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 1epin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-489.1471187; Eh
10-Mar-2021	/NEUTRAL 2a2dan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1079.70545588; Eh
10-Mar-2021	/NEUTRAL 2a2pin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-861.6728786; Eh
10-Mar-2021	/NEUTRAL 2apindan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-970.6930014; Eh
10-Mar-2021	/NEUTRAL 2b2dan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1119.0080822; 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
10-Mar-2021	/NEUTRAL 2bpindan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1009.9936947; Eh
10-Mar-2021	/NEUTRAL 2c2dan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1310.68445970; Eh
10-Mar-2021	/NEUTRAL 2c2pin-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1092.6500133; Eh
10-Mar-2021	/NEUTRAL 2cpindan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1201.6685722; Eh
10-Mar-2021	/NEUTRAL 32pindan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-1381.28732634; Eh
10-Mar-2021	/NEUTRAL 33dan-H	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1599.31395644; Eh

Showing results 506 to 525 of 866 < previous next >