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 | /Me_radical_addn/Benzene+Me-rad_product benzene_Me-rad_product | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -271.598100734; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Benzene+Me-rad_product benzene_Me-rad_product_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -39.7888613; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Benzene+Me-rad_TS benzene_Me-rad_TS_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -271.8083226; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Benzene+Me-rad_TS benzene_Me-rad_TS | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | UMN15L | DEF2SVP | -271.560396688; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Benzene benzene_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RMN15 | DEF2TZVP | -232.0336578; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Me_radical Me_radical_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -39.7888613; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Me_radical Me_radical | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -39.7493930418; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/Benzene benzene | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RMN15L | DEF2SVP | -231.828039430; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_product_2pos mXylene+Me-rad_product_2pos | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UMN15L | DEF2SVP | -350.083739877; Eh | |||
 | 2-Sep-2023 | /Me_radical_addn/mXylene+Me-rad_TS5pos mXylene+Me-rad_TS5pos_tzvp | Nelson, David | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UMN15 | DEF2TZVP | -350.3628763; Eh |
Results 1-10 of 100 (Search time: 0.001 seconds).