Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 2-Sep-2023 | /P_radicals/dippf/dippf+Ph-rad dippf+Ph-rad_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3037.0105251; Eh | |||
![]() | 2-Sep-2023 | /P_radicals/dppf/dppf+Me-rad dppf+Me-rad_tzvp-as-cation | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.4349382; Eh | |||
![]() | 2-Sep-2023 | /P_radicals/dppf/dppf+Ph-cat dppf+Ph-cat_tzvp-as-rad | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3489.0952168; Eh | |||
![]() | 2-Sep-2023 | /P_radicals/dppf/dppf+Me-rad_TS dppf+Me-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.5151141; Eh | |||
![]() | 2-Sep-2023 | /P_radicals/dppf/dppf+Ph-cat dppf+Ph-cat_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -3489.0117161; Eh | |||
![]() | 2-Sep-2023 | /P_radicals/dppf/dppf+Me-rad dppf+Me-rad_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.5364212; Eh | |||
![]() | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS4pos mXylene+Me-rad_TS4pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.3642614; Eh | |||
![]() | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS2pos mXylene+Me-rad_TS2pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.3659; Eh | |||
![]() | 2-Sep-2023 | /Me_radical_addn/mXylene mXylene_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -310.588054; Eh | |||
![]() | 2-Sep-2023 | /P_radicals/dppf/dppf+Me-cat dppf+Me-cat_tzvp-as-radical | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -3297.5306672; Eh |
Results 161-170 of 203 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 203 Gaussian