DR-NTU (Data)

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Mission: DR-NTU (Data) curates, stores, preserves, makes available and enables the download of digital data generated by the NTU research community. The repository develops and provides guidance for managing, sharing, and reusing research data to promote responsible data sharing in support of open science and research integrity.

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What can be deposited? Final, non-sensitive research data from projects carried out at NTU. The uploaded content must not infringe upon the copyrights or other intellectual property rights, and must be void of all identifiable information.

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NIE Data Repository (Harvested)

Asian School of the Environment (ASE)

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Earth Observatory of Singapore (EOS)

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Nanyang Business School (NBS)

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School of Physical and Mathematical Sciences (SPMS)

School of Social Sciences (SSS)

S. Rajaratnam School of International Studies

Wee Kim Wee School of Communication and Information (WKWSCI)

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1 to 10 of 75,529 Results

data_complete_WVS1.csv Jul 2, 2026 - Replication Data for: Secularism and Anti-Immigrant Sentiment in Asia Comma Separated Values - 29.4 MB - MD5: 9a45c4c501be0200e53623128bbfb6cd
Muhamad Yusri Bin Mohamed Supiyan Dataverse(Nanyang Technological University) Jul 2, 2026School of Social Sciences (SSS) This is the dataset based on the World Values Survey and V-Dem dataset for our project on secularism and anti-immigrant sentiments.
CHENG Zheyu(Nanyang Technological University) Jun 29, 2026School of Physical and Mathematical Sciences (SPMS) For more information, visit webpage
Case_Study_0_BN-1_Manuscript.zip Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 3.4 GB - MD5: 5efe0e8485b56b5f33f2eb5db17830c8 Main manuscript dataset containing naphthalimide conformers, Gaussian calculations, conformational searches, scheduler files, and analysis workbooks.
Case_Study_A_BN1-SI.zip Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 48.7 MB - MD5: 2c273b3b289794db250d92e08b417d5e Case Study A dataset containing locally excited (LE) and charge/electron-transfer (CT/ET) calculations performed using M06-2X. Comparison with the ωB97X-D results reported in the main text enables assessment of functional dependence. Despite small numerical differences, the relat...
Case_Study_B_BODIPY_Benchmarking.zip Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 734.4 MB - MD5: 3af8811e82af72ec743e3c5e02c56dda BODIPY–aniline benchmarking calculations comparing density functionals, basis sets, and mixed-functional workflows.
Case_Study_C_Rhodamine.zip Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 50.4 MB - MD5: 5f99e912d77611b6b3e23b18c120b776 Si-rhodamine calculations covering locally excited and charge-transfer states, with outputs and formatted checkpoint files.
Explicit_Solvation.zip Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 62.5 MB - MD5: 8317f42dbf78189c5922543538ab98d2 BODIPY calculations examining the effects of zero, one, or two explicit water molecules alongside implicit ethanol solvation.
README (Datasets and Scripts).md Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules Markdown Text - 11.4 KB - MD5: 1312c7f457b6d56378337cc3c619a848 This README describes a 12.4 GB computational dataset supporting photoinduced electron-transfer analysis across BN-1, BODIPY, and Si-rhodamine case studies. It outlines the calculation files, computational methods, folder and filename conventions, benchmarking and solvation datas...
Scripts_and_GaussianStepMaker.zip Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules ZIP Archive - 38.5 MB - MD5: 288b763726c10df2ee96964e8b96d457 Python analysis utilities and the Gaussian calculation-step generator software package.

data_complete_WVS1.csv

Jul 2, 2026 - Replication Data for: Secularism and Anti-Immigrant Sentiment in Asia

Comma Separated Values - 29.4 MB -

Muhamad Yusri Bin Mohamed Supiyan Dataverse(Nanyang Technological University)

Jul 2, 2026School of Social Sciences (SSS)

This is the dataset based on the World Values Survey and V-Dem dataset for our project on secularism and anti-immigrant sentiments.

CHENG Zheyu(Nanyang Technological University)

Jun 29, 2026School of Physical and Mathematical Sciences (SPMS)

For more information, visit webpage

Case_Study_0_BN-1_Manuscript.zip

Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 3.4 GB -

Main manuscript dataset containing naphthalimide conformers, Gaussian calculations, conformational searches, scheduler files, and analysis workbooks.

Case_Study_A_BN1-SI.zip

Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 48.7 MB -

Case Study A dataset containing locally excited (LE) and charge/electron-transfer (CT/ET) calculations performed using M06-2X. Comparison with the ωB97X-D results reported in the main text enables assessment of functional dependence. Despite small numerical differences, the relat...

Case_Study_B_BODIPY_Benchmarking.zip

Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 734.4 MB -

BODIPY–aniline benchmarking calculations comparing density functionals, basis sets, and mixed-functional workflows.

Case_Study_C_Rhodamine.zip

Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 50.4 MB -

Si-rhodamine calculations covering locally excited and charge-transfer states, with outputs and formatted checkpoint files.

Explicit_Solvation.zip

Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 62.5 MB -

BODIPY calculations examining the effects of zero, one, or two explicit water molecules alongside implicit ethanol solvation.

README (Datasets and Scripts).md

Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

Markdown Text - 11.4 KB -

This README describes a 12.4 GB computational dataset supporting photoinduced electron-transfer analysis across BN-1, BODIPY, and Si-rhodamine case studies. It outlines the calculation files, computational methods, folder and filename conventions, benchmarking and solvation datas...

Scripts_and_GaussianStepMaker.zip

Jun 29, 2026 - A Computational Workflow for Uncovering Photoinduced Electron Transfer Mechanisms in Fluorescent Molecules

ZIP Archive - 38.5 MB -

Python analysis utilities and the Gaussian calculation-step generator software package.

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