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Browsing by Author Maza Quiroga, Ricardo José

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Issue Date	Title	Author(s)	Program	Calculation type	Method(s)	Basis Set	Energy
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
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 1aNpin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Geometry optimization Minimum	RwB97XD	6-31G(D,P)	-410.672679023; Eh
10-Mar-2021	/ANIONIC 1aPhF	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1519.352166; Eh
10-Mar-2021	/ANIONIC 1apin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	6-31G(D,P)	-450.431158403; Eh
10-Mar-2021	/ANIONIC 1bdan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-598.769636; Eh
10-Mar-2021	/ANIONIC 1bpin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-489.7367197; 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 1cpin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-681.4493967; Eh
10-Mar-2021	/ANIONIC 1epin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-488.4878508; Eh
10-Mar-2021	/ANIONIC 2a2dan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1079.1124978; Eh
10-Mar-2021	/ANIONIC 2apin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-861.0539351; Eh
10-Mar-2021	/ANIONIC 2apindan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	6-31G(D,P)	-970.092002058; Eh
10-Mar-2021	/ANIONIC 2b2dan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1118.414064; Eh
10-Mar-2021	/ANIONIC 2b2pin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-900.3557513; Eh
10-Mar-2021	/ANIONIC 2bpindan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1009.3950879; Eh
10-Mar-2021	/ANIONIC 2c2dan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1310.1102861; Eh
10-Mar-2021	/ANIONIC 2c2pin	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1092.0514345; Eh
10-Mar-2021	/ANIONIC 2cpindan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Structure	RwB97XD	6-31G(D,P)	-1201.088593; Eh
10-Mar-2021	/ANIONIC 32pindan	Maza Quiroga, Ricardo José	Gaussian; 16; ES64L-G16RevA.03	Single point Minimum	RwB97XD	6-31G(D,P)	-1380.70652620; Eh

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