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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 10-Apr-2024 | /Opt C3PLi_opt_matzvp | Skjelstad, Bastian Bjerkem | Orca; 5.0.3; RELEASE | Geometry optimization | UKS | - | -752.18537669; Eh | |||
 | 31-Jan-2024 | /EDA C3PLi_EDA_neutral | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
 | 31-Jan-2024 | /EDA C4PLi_EDA_neutral | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
 | 31-Jan-2024 | /EDA C4PLi_EDA_ionic | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
 | 31-Jan-2024 | /EDA C3PLi_EDA_ionic | Skjelstad, Bastian Bjerkem | ADF; 2019; 303 | Single point | - | - | ||||
 | 17-May-2024 | NEt3H_MeOH | Garrido Barros, Pablo | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | DEF2TZV | -292.951536357; Eh | |||
 | 17-May-2024 | NEt3_MeOH | Garrido Barros, Pablo | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | DEF2TZV | -292.470647419; Eh | |||
 | 17-May-2024 | Acetophenone | Garrido Barros, Pablo | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | DEF2TZV | -384.992494984; Eh | |||
 | 17-May-2024 | Fc_1 | Garrido Barros, Pablo | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | UTPSSTPSS | DEF2TZV | -1650.83716862; Eh | |||
 | 17-May-2024 | Fc_0 | Garrido Barros, Pablo | Gaussian; 09; AM64L-G09RevB.01 | Geometry optimization Minimum | RTPSSTPSS | DEF2TZV | -1651.00516248; Eh |
Results 318181-318190 of 319261 (Search time: 0.26 seconds).
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Subject
- 2575 Reactivity
- 2491 Atomic property
- 2491 Benchmark
- 2491 Dipole
- 2491 Electronic Population
- 2491 QTAIM
- 2491 Quadrupole
- 2263 Mass spectrometry
- 2118 Peptides
- 2113 Conformation analysis
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Date issued
- 1 2020