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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 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 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 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 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 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 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 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 2b2dan | Maza Quiroga, Ricardo José | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | 6-31G(D,P) | -1118.414064; 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 |
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