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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-Aug-2022 | 3-Bromoquinoline_ACN_2c | Haack, Alexander | Orca; 5.0.1; RELEASE | Geometry optimization | - | def2-TZVPP | -3241.50917842; Eh | |||
 | 5-Aug-2022 | NicotinicAcid_MeOH_2a | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -668.80269084; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_013_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.23136158; Eh | |||
 | 19-Jun-2023 | /GGG GGG-H_cc_011_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -701.28015209; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_172_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22652266; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_257_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22886231; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_172_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.25826613; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_ct_232_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.22437997; Eh | |||
 | 19-Jun-2023 | /YGG YGG-H_cc_151_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1047.11509675; Eh | |||
 | 16-Jun-2023 | /GSH GSH-H_cc_192_OptFreq | Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization | - | def2-TZVPP | -1406.20459991; Eh |
Results 31-40 of 63 (Search time: 0.001 seconds).