Browsing by Author Ieritano, Christian
Showing results 41 to 60 of 2010
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 31-Mar-2023 | 6CN_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -609.12783803; Eh | |||
 | 31-Mar-2023 | 6F_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -616.15051781; Eh | |||
 | 31-Mar-2023 | 6Me_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -556.22243104; Eh | |||
 | 31-Mar-2023 | 6NO2_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -721.41247045; Eh | |||
 | 31-Mar-2023 | 6OMe_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -631.43856596; Eh | |||
 | 31-Mar-2023 | 6OMe_MQOH_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -631.44154548; Eh | |||
 | 31-Mar-2023 | 7Cl_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -976.50685887; Eh | |||
 | 31-Mar-2023 | 7CN_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -609.13085415; Eh | |||
 | 31-Mar-2023 | 7F_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -616.14946238; Eh | |||
 | 31-Mar-2023 | 7Me_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -556.22273907; Eh | |||
 | 31-Mar-2023 | 7NO2_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -721.41923264; Eh | |||
 | 31-Mar-2023 | 7OMe_MQOH_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -631.44266385; Eh | |||
 | 31-Mar-2023 | 8_Cl_2_MeQuinolinium_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -901.26491339; Eh | |||
 | 31-Mar-2023 | 8_Me_2_MeQuinolinium_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -480.98080069; Eh | |||
 | 31-Mar-2023 | 8_NH2_2_MeQuinolinium_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -497.02809427; Eh | |||
 | 31-Mar-2023 | 8_NH2_2_MeQuinolinium_0b | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -497.01045144; Eh | |||
 | 31-Mar-2023 | 8_NO2_2_MeQuinolinium_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -646.17583403; Eh | |||
 | 31-Mar-2023 | 8_OMe_2_MeQuinolinium_0a | Ieritano, Christian; Haack, Alexander | Orca; 5.0.3; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -556.20248462; Eh | |||
 | 31-Mar-2023 | 910_DIHYDRO_99_DIMETHYLACRIDINE | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -635.79678095; Eh | |||
 | 31-Mar-2023 | 9_10H_Acridanone_2 | Ieritano, Christian; Haack, Alexander | Orca; 5.0.2; RELEASE | Geometry optimization Minimum | - | def2-TZVPP | -631.22535175; Eh |