School of Chemistry, Chemical Engineering and Biotechnology (CCEB)

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The School of CCEB integrated the Division on Chemistry and Biological Chemistry from the School of Physical & Mathematical Sciences (SPMS) with the School of Chemical and Biomedical Engineering (SCBE).

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31 to 40 of 7,037 Results

A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules Feb 7, 2026 - Xiaogang LIU Liu, Xiaogang, 2026, "A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules", https://doi.org/10.21979/N9/EQVGHF, DR-NTU (Data), V1 Dataset Description This dataset contains computational data, scripts, and instructional materials for the computational modelling of photoinduced electron transfer (PET) mechanisms in fluorescent molecules. The collection is intended to support transparency, reproducibility, and...
Case_Study-A_BN1-SI.zip Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 48.7 MB - MD5: f897bc59a47820dc3425a3809d32d404
Case_Study_B_BODIPY_Benchmarking.zip Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 734.4 MB - MD5: f2ee0bcdc2a8ec12979267813e07872c
Case_Study_BN-1_Manuscript.zip Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 64.1 MB - MD5: 1e4d763d87f748f53051338db3e148b1
Case_Study_C_Rhodamine.zip Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 50.4 MB - MD5: 9f860931f347d885a31233d71df0ab96
Explicit_Solvation.zip Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 62.5 MB - MD5: 2cea1051826c7e4093d44e6ce20fbfbb
Scripts_and_GaussianStepMaker.zip Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 38.5 MB - MD5: a961238bb34d2aa368b67f64cd87a07f
Supplementary Video 10.mov Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules Quicktime Video - 63.1 MB - MD5: 1d196356ba9b2c13f900aeedd3f3f45f
Supplementary Video 11.mov Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules Quicktime Video - 69.0 MB - MD5: 747e83e9d39ff4f2a1deb8687b730701
Supplementary Video 12.mov Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules Quicktime Video - 39.7 MB - MD5: 15ee0689e92e30e731a9ac3fbf19f3c3

A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

Feb 7, 2026 - Xiaogang LIU

Liu, Xiaogang, 2026, "A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules", https://doi.org/10.21979/N9/EQVGHF, DR-NTU (Data), V1

Dataset Description This dataset contains computational data, scripts, and instructional materials for the computational modelling of photoinduced electron transfer (PET) mechanisms in fluorescent molecules. The collection is intended to support transparency, reproducibility, and...

Case_Study-A_BN1-SI.zip

Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 48.7 MB -

Case_Study_B_BODIPY_Benchmarking.zip

Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 734.4 MB -

Case_Study_BN-1_Manuscript.zip

Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 64.1 MB -

Case_Study_C_Rhodamine.zip

Feb 7, 2026 - A Computational Protocol for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 50.4 MB -