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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 4-Jul-2023 | ts-23-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3PW91 | DEF2SVP | -1525.8126191; Eh | |||
 | 4-Jul-2023 | ts-34-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UB3PW91 | DEF2SVP | -1525.8126191; 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 | |||
 | 4-Jul-2023 | nitrosobenzyl | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -361.5363542; Eh | |||
 | 4-Jul-2023 | 10-s | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3PW91 | DEF2TZVPP | -362.7742911; Eh |
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