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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2023 | 4_F-_at_phos_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1466.45673023; Eh | |||
 | 24-Jul-2023 | 4_DHP-pos4_ylidene_mecn_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -553.07016933; Eh | |||
 | 24-Jul-2023 | DBU_mecn_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -460.70661355; Eh | |||
 | 24-Jul-2023 | Me3SiH_mecn_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -409.21122494; Eh | |||
 | 24-Jul-2023 | 4_mecn_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1366.72790241; Eh | |||
 | 24-Jul-2023 | 4_H-_at_phos_mecn_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1367.36257553; Eh | |||
 | 24-Jul-2023 | 4_deprot_Bu_alpha_mecn_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1366.20063328; Eh | |||
 | 24-Jul-2023 | 4_deprot_DHP-pos4_mecn_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1366.23491920; Eh | |||
 | 24-Jul-2023 | 4_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -1366.50295762; Eh | |||
 | 24-Jul-2023 | Me3SiF_gas_sp | Mulks, Florian | Orca; 5.0.3; RELEASE | Single point | - | def2-QZVPP; def2-QZVPP/C | -508.38717844; Eh |
Results 1-10 of 41 (Search time: 0.001 seconds).