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Tabulated chemistry approach for detonation simulations

• Authors : Baumgart, Alexandra; Yao, Matthew X.; Blanquart, Guillaume

Subjects: Tabulated chemistry; Detonation

• Source: Combustion and Flame, 272, 113878, (2025-02)

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Analysis for the Science Librarians of the 2024 Nobel Prize in Chemistry: Computational Protein Design and Protein Structure Prediction

• Authors : Schlembach, Mary C.; Wrublewski, Donna T.

Subjects: Bibliometrics; chemistry nobel prize; David Baker

• Source: Science & Technology Libraries, 44, 1-16, (2025-02-28)

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Increasing Contribution of Chlorine Chemistry to Wintertime Ozone Formation Promoted by Enhanced Nitrogen Chemistry

• Authors : Chen, Gaojie; Xu, Lingling; Yu, Shaocai

Subjects: chlorine chemistry; nitrogen chemistry; formation mechanisms

• Source: Environmental Science and Technology, 58(51), 22714–22721, (2024-12-24)

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Physical Chemistry Education and Research in an Open-Sourced Future

• Authors : DuBose, Jeffrey T.; Scott, Soren B.; Moss, Benjamin

Subjects: Computational Theory and Mathematics; Physical and Theoretical Chemistry; Computer Science Applications

• Source: ACS Physical Chemistry Au, (2024-04-01)

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Kinetic Modeling of Secondary Organic Aerosol in a Weather-Chemistry Model: Parameterizations, Processes, and Predictions for GOAmazon

• Authors : He, Yicong; Bilsback, Kelsey R.; Shrivastava, Manish

Subjects: secondary organic aerosol; aerosol processes; kinetic modeling

• Source: ACS ES&T Air, 2(2), 249–263, (2025-02-14)

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Introducing GPU Acceleration into the Python-Based Simulations of Chemistry Framework

• Authors : Li, Rui; Sun, Qiming; Zhang, Xing

Subjects: Algorithms; Basis sets; Circuits

• Source: Journal of Physical Chemistry A, 129(5), 1459–1468, (2025-02-06)

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Rethinking 'Prebiotic Chemistry'

• Authors : Wong, Michael L.; Christensen, Madeline; Bartlett, Stuart

• Source: Perspectives of Earth and Space Scientists, 6(1), e2025CN000275, (2025-07-11)

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The JDISC Survey: Linking the Physics and Chemistry of Inner and Outer Protoplanetary Disk Zones

• Authors : Arulanantham, Nicole; Salyk, Colette; Pontoppidan, Klaus

Subjects: Planetary system formation; Protoplanetary disks; James Webb Space Telescope

• Source: Astronomical Journal, 170(2), 67, (2025-08)

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Physical Chemistry of Water Microdroplets

• Authors : Colussi, Agustin J.

Subjects: Chemical reactions; Electric fields; Free energy

• Source: Journal of Physical Chemistry Letters, 16(13), 3366-3370, (2025-04-03)

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A Perspective on Sustainable Computational Chemistry Software Development and Integration

• Authors : Di Felice, Rosa; Mayes, Maricris L.; Richard, Ryan M.

Subjects: Physical and Theoretical Chemistry; Computer Science Applications

• Source: Journal of Chemical Theory and Computation, (2023-09-28)

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