Browsing by Author Ionut Octavian, Stan
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Nov-2024 | /Ethene Ethene_Stack_Disordered | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1170.49659455; Eh | |||
 | 26-Nov-2024 | /Ethene Ethene_Stack_Ordered | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1170.49911404; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_AB | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.63901360; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_AC | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.64564758; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_AE | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.64235251; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_AG | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.64532946; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_AH | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.64506426; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_BC | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.63799472; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_BD | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.64557594; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_BE | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.63801712; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_BF | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.63941583; Eh | |||
 | 25-Nov-2024 | /Tetracene/Dimers Dimer_BI | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -1377.63891694; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_ABC | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.45958541; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_ABD | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.46716791; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_ABE | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.45663342; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_ABF | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.46125090; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_ABI | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.46018577; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_ACK | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.47395921; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_AEJ | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.46753272; Eh | |||
 | 26-Nov-2024 | /Tetracene/Trimers Trimer_CBE | Ionut Octavian, Stan | GronOR; 23.00; under active development | NOCI | NOCI-Fragments | - | -2066.45888962; Eh |