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Mark E. Casida

Affiliation : Centre National de la Recherche Scientifique · Département de Chimie Moléculaire · Institut de Chimie Moléculaire de Grenoble · Université Grenoble Alpes

• 8Publications (affiliation in France)
• 137Total publications
• 15508Citations
• 35h-index

ORCIDOpenAlex

Research profile

Mark E. Casida has 8 indexed publications (2015–2023). Their work appears mainly in “Elsevier eBooks”, “Journal of Computational Chemistry” and “Journal of Molecular Graphics and Modelling”. Their most cited article, “Theoretical design of new small molecules with a low band-gap for organic solar cell applications: DFT and TD-DFT study” (2018), has been cited 82 times. 3 of these publications date from the last three years of activity. Their work is co-authored with at least 2 researchers, including institutions in Iraq.

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Research areas

• Advanced Chemical Physics Studies
• Spectroscopy and Quantum Chemical Studies
• Photochemistry and Electron Transfer Studies
• Atomic and Molecular Physics
• Advanced Physical and Chemical Molecular Interactions

Publications (8)

• Density‐functional theory (DFT) and time‐dependent DFT study of the chemical and physical origins of key photoproperties of end‐group derivatives of a nonfullerene acceptor molecule for bulk heterojunction organic solar cells
  2023 · Journal of Computational Chemistry · cited 27 times
• Computational studies of ruthenium and iridium complexes for energy sciences and progress on greener alternatives
  2022 · Elsevier eBooks · cited 3 times
• Contributors
  2022 · Elsevier eBooks
• Rational design of (D-A) copolymers towards high efficiency organic solar cells: DFT and TD-DFT study
  2019 · Journal of Molecular Graphics and Modelling · cited 11 times
• Theoretical design of new small molecules with a low band-gap for organic solar cell applications: DFT and TD-DFT study
  2018 · Computational Materials Science · cited 82 times
• Theoretical investigation of oligomer structure and optoelectronic properties for [4-(methoxyphenyl)acetonitrile]n (n=1-5)
  2017 · Journal of Molecular Modeling · cited 5 times
• Density-Functional Theory Study of the Optoelectronic Properties of π-Conjugated Copolymers for Organic Light-Emitting Diodes
  2017 · arXiv (Cornell University)
• Assessment of Density-Functional Tight-Binding Ionization Potentials and Electron Affinities of Molecules of Interest for Organic Solar Cells Against First-Principles GW Calculations
  2015 · Computation · cited 22 times

Publication venues

• Elsevier eBooks × 2
• Journal of Computational Chemistry × 1
• Journal of Molecular Graphics and Modelling × 1
• Computational Materials Science × 1
• Journal of Molecular Modeling × 1
• arXiv (Cornell University) × 1

Publications per year

• 20231
• 20222
• 20191
• 20181
• 20172
• 20151

Collaborations

Partner institutions : University of Mosul · Université Joseph Fourier · Université Bordeaux-I

Co-authors’ countries : Iraq

Co-authors

• Ala Aldin M. H. M. Darghouth
• D. Foerster

Bibliographic data from OpenAlex (open database).