Skip to content
DraconiticResearch
Search Sources API
186,125 studies31 sourcesUpdated 28 min ago
PreprintLicence not statedChemRxiv

Limits of geometric packing descriptors in molecular crystal energy ranking

  1. 1Buenauda S.L., Calle Coll 59, Barcelona, Barcelona, Spain, 08036

Related

  1. Electronic Descriptors Lower Oxygen-Vacancy Formation-Energy Error Relative to Crystal Structure Alone in Non-Magnetic Oxides
    Palaash Gang, Aiden Lee, Qi Wu
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  2. When Does MMLCT Emerge? The Role of Crystal Packing in the Photophysics of Pt(II) Polymorphs
    Meihui Liu, Daniel Escudero
    ChemRxivPreprintCC BYFull textMaterials & polymersChemRxiv
  3. A Machine Learning Approach to logBB Prediction Combining Molecular Docking and Quantum-Chemical Descriptors
    Lilian Rouille
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  4. How Molecular Weight Shapes the Relative Importance of Chemical and Structural Descriptors for Aqueous Solubility
    Sampreeti Bhattacharya, Arkaprava Roy
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
  5. Ensemble Molecular Surface Electrostatic Potential Descriptors as Informative Features for Active Learning
    Gian-Michele Cherchi, Tommaso Marchetti, Sijbren Otto +1
    ChemRxivPreprintLicence not statedGeneral chemistryChemRxiv
BibTeX
@misc{bondarenko2026limits,
  title = {{Limits of geometric packing descriptors in molecular crystal energy ranking}},
  author = {Pavlo Bondarenko},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15011221/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011221/v1},
}
RIS
TY  - UNPB
TI  - Limits of geometric packing descriptors in molecular crystal energy ranking
AU  - Pavlo Bondarenko
PY  - 2026
DA  - 2026/10/28
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011221/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011221/v1
ER  -