José Manuel Nápoles-Duarte

Effect of packing on the cohesive and electronic properties of methanofullerene crystals

José Manuel Nápoles-Duarte, M. Reyes‐Reyes, J. L. Ricardo-Chávez et al. · Physical Review B · 2008 · 39 citations

Crystal Structure, Engineering, Crystal Growth Technology +20

SELFIES and the future of molecular string representations

Mario Krenn, Qianxiang Ai, Senja Barthel et al. · arXiv (Cornell University) · 2022 · 23 citations · Full text

Stmol: A component for building interactive molecular visualizations within streamlit web-applications

José Manuel Nápoles-Duarte, Avratanu Biswas, Mitchell I. Parker et al. · Frontiers in Molecular Biosciences · 2022 · 23 citations · Full text

Engineering, Molecular Biology, Molecular Graphic +17

Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

Matthew L. Evans, J. Bergsma, Andrius Merkys et al. · Repository for Publications and Research Data (ETH Zurich) · 2024 · 19 citations · Full text

Optical Materials, Engineering, Databases +28

Synthesis, electronic, and spectral properties of novel geranylated chalcone derivatives: a theoretical and experimental study

José C. Espinoza‐Hicks, José Manuel Nápoles-Duarte, Guadalupe Virginia Nevárez‐Moorillón et al. · Journal of Molecular Modeling · 2016 · 15 citations

Chemical Engineering, Derivative (Chemistry), Engineering +8