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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 31-Mar-2021 | /dnppe A_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3978.64383; Eh | |||
![]() | 31-Mar-2021 | /dnppe I-F-TS_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -2986.3298466; Eh | |||
![]() | 31-Mar-2021 | /P2BMe24_DMAP B_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7867.8152603; Eh | |||
![]() | 31-Mar-2021 | /P2BMe24_DMAP A_M06 | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -7867.8387214; Eh | |||
![]() | 31-Mar-2021 | /P2BMe4 A_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4810.9254021; Eh | |||
![]() | 31-Mar-2021 | /dnppe B_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -3978.629162; Eh | |||
![]() | 31-Mar-2021 | /P2BMe4 B_o_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4810.9170854; Eh | |||
![]() | 31-Mar-2021 | /P2BMe4 B_c_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -4810.9316178; Eh | |||
![]() | 31-Mar-2021 | /P2BMe4 L_o_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1651.3001285; Eh | |||
![]() | 31-Mar-2021 | /P2BMe4 L_c_(M06) | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06 | 6-311+G(D,P) GENECP | -1651.3408511; Eh |
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