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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jul-2021 | Secondary_N2 | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -109.5504015; Eh | |||
 | 23-Jul-2021 | Reactant_complex | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -2792.0313051; Eh | |||
 | 23-Jul-2021 | TS1 | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -2791.9900957; Eh | |||
 | 23-Jul-2021 | Nitrenoid | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -2792.0176759; Eh | |||
 | 23-Jul-2021 | TS2 | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -2682.4602956; Eh | |||
 | 23-Jul-2021 | Ring | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -2682.4898825; Eh | |||
 | 23-Jul-2021 | Coupled | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -2682.5146951; Eh | |||
 | 23-Jul-2021 | TS3 | montilla, marc | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RrevTPSSrevTPSS | DEF2TZVP | -2682.471094; Eh |
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