Alejandro Santana‐Bonilla

Switching between Local and Global Aromaticity in a Conjugated Macrocycle for High‐Performance Organic Sodium‐Ion Battery Anodes

Simon Eder, Dong‐Joo Yoo, Wojciech Nogala et al. · Angewandte Chemie International Edition · 2020 · 94 citations · Full text

Natural Sciences, Materials Engineering, Materials Science +17

Fullerene Desymmetrization as a Means to Achieve Single‐Enantiomer Electron Acceptors with Maximized Chiroptical Responsiveness

Wenda Shi, Francesco Salerno, Matthew D. Ward et al. · Advanced Materials · 2020 · 77 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

Nonlocal Electron–Phonon Coupling in Prototypical Molecular Semiconductors from First Principles

Xiaoyu Xie, Alejandro Santana‐Bonilla, Alessandro Troisi · Journal of Chemical Theory and Computation · 2018 · 50 citations

Natural Sciences, Chemistry, Physics +17

Molecular generation targeting desired electronic properties <i>via</i> deep generative models

Qi Yuan, Alejandro Santana‐Bonilla, Martijn A. Zwijnenburg et al. · Nanoscale · 2020 · 47 citations · Full text

Natural Sciences, Chemistry, Materials Science +16

Exciton–Phonon Interaction Model for Singlet Fission in Prototypical Molecular Crystals

Xiaoyu Xie, Alejandro Santana‐Bonilla, Wei‐Hai Fang et al. · Journal of Chemical Theory and Computation · 2019 · 42 citations

Natural Sciences, Chemistry, Physics +17