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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Jul-2023 | nitrobenzyl | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -436.7575113; Eh | |||
 | 4-Jul-2023 | pinacol | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -387.5341881; Eh | |||
 | 4-Jul-2023 | acetone | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -193.1651711; Eh | |||
 | 4-Jul-2023 | 1-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -1139.2790005; Eh | |||
 | 4-Jul-2023 | hydroxylamine_complexed | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -1502.055987; Eh | |||
 | 4-Jul-2023 | ts-89-s-prw | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3PW91 | DEF2TZVPP | -1578.4922728; Eh | |||
 | 4-Jul-2023 | ts-to-hx-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3PW91 | DEF2TZVPP | -1503.249416; Eh | |||
 | 4-Jul-2023 | 9-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UB3PW91 | DEF2TZVPP | -1502.0587368; Eh | |||
 | 4-Jul-2023 | 12-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -1503.2876661; Eh | |||
 | 4-Jul-2023 | 11-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -1503.2491454; Eh |
Results 21-30 of 79 (Search time: 0.001 seconds).