Alexandr Fonari

Schrodinger (United States) — United States

Materials Science · Physical Sciences

14h-index900citations81works0.02yr avg
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Research Topics

Crystallization and Solubility Studies(50), X-ray Diffraction in Crystallography(50), Organic Electronics and Photovoltaics(9), Crystallography and molecular interactions(8), Organic and Molecular Conductors Research(6)

Publications81 total

Influence of Packing Motifs on Photoluminescence Properties of Cocrystals of Energetic 3-Nitro-1 <i>H</i> -1,2,4-triazole with Crown Ethers
Crystal Growth & Design·2026
Utilizing SciPy and other open source packages to provide a powerful API for materials manipulation in the Schrödinger Materials Suite
Proceedings of the Python in Science Conferences·2022Open Access
Temperature-mediated polymorphism: impact on packing motifs and charge transport
Acta Crystallographica Section A Foundations and Advances·2017Open Access
openbabel/openbabel: Open Babel 2.4.0
Zenodo (CERN European Organization for Nuclear Research)·2016Open Access
Vibrational properties of organic donor-acceptor molecular crystals: Anthracene-pyromellitic-dianhydride (PMDA) as a case study
The Journal of Chemical Physics·2015· 17 cited
Mode-selective vibrational modulation of charge transport in organic electronic devices
Nature Communications·2015· 87 citedOpen Access
Theoretical description of charge-transport and charge-generation parameters in single-component and bimolecular charge-transfer organic semiconductors
SMARTech Repository (Georgia Institute of Technology)·2015
Mixed-stack architecture and solvatomorphism of trimeric perfluoro-ortho-phenylene mercury complexes with dithieno[3,2-b:2′,3′-d]thiophene
Journal of Molecular Structure·2015· 8 cited
Temperature-Mediated Polymorphism in Molecular Crystals: The Impact on Crystal Packing and Charge Transport
Chemistry of Materials·2015· 85 cited
CCDC 1019650: Experimental Crystal Structure Determination
King Abdullah University of Science and Technology Repository (King Abdullah University of Science and Technology)·2015Open Access
CCDC 1024867: Experimental Crystal Structure Determination
King Abdullah University of Science and Technology Repository (King Abdullah University of Science and Technology)·2015Open Access
CCDC 1025419: Experimental Crystal Structure Determination
King Abdullah University of Science and Technology Repository (King Abdullah University of Science and Technology)·2015Open Access
CCDC 1024868: Experimental Crystal Structure Determination
King Abdullah University of Science and Technology Repository (King Abdullah University of Science and Technology)·2015Open Access
Freezing-in orientational disorder induces crossover from thermally-activated to temperature-independent transport in organic semiconductors
Nature Communications·2014· 49 cited
Back Cover: Dimers of Nineteen‐Electron Sandwich Compounds: Crystal and Electronic Structures, and Comparison of Reducing Strengths (Chem. Eur. J. 47/2014)
Chemistry - A European Journal·2014Open Access
Impact of exact exchange in the description of the electronic structure of organic charge-transfer molecular crystals
Physical Review B·2014· 33 cited
Dimers of Nineteen‐Electron Sandwich Compounds: Crystal and Electronic Structures, and Comparison of Reducing Strengths
Chemistry - A European Journal·2014· 45 cited
Toward Antikekulene: Angular 1,2-Di-, 2,3-Di-, and 1,2,15,16-Tetrachloro[6]phenylene
Synlett·2014· 14 cited
Electronic Properties of Mixed-Stack Organic Charge-Transfer Crystals
The Journal of Physical Chemistry C·2014· 87 cited
Absolute Configuration and Polymorphism of 2-Phenylbutyramide and α-Methyl-α-phenylsuccinimide
Crystal Growth & Design·2014· 12 citedOpen Access
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Frequent Co-authors

Tatiana V. Timofeeva(27), Jean‐Luc Brédas(20), Veaceslav Coropceanu(10), Seth R. Marder(10), Marina S. Fonarı(9), P. Tongwa(8), Chad Risko(7), Victor N. Khrustalev(7), Evgeniya S. Leonova(7), Ala’a O. El-Ballouli(6), Brigitte Wex(6), Rony S. Khnayzer(6), Stephen Barlow(6), Digambara Patra(6), Bhupinder Sandhu(6), Samuel Bentum(6), Arcadius V. Krivoshein(6), Mikhail Yu. Antipin(6), M.Yu. Antipin(6), Roman Trattnig(5)