Garima Chanana

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Publications (7)

• Molecular Property Prediction Toward Materials Science Applications Using Quantum-Inspired Graph Neural Networks
  2026 DOI: 10.1007/978-981-92-4005-0_18
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• Performance Evaluation of Various Machine Learning Models and Its Implications for Informed Air Policy Decisions
  2025 DOI: 10.4018/979-8-3693-9030-6.ch006
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• Quantum control of optoelectronic and thermodynamic properties of dopamine molecule in external electric field : A DFT and TD-DFT study
  Computational and Theoretical Chemistry 2023 DOI: 10.1016/j.comptc.2023.114051
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• Modelling natural dye molecules lawsone and purpurin in different solvents for DSSC applications: a DFT and TD-DFT study
  Molecular Simulation 2022 DOI: 10.1080/08927022.2022.2053120
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• Modelling Novel Organic Molecule 2-(4-Ethylbenzylidene) Malononitrile (EBM) for Nonlinear Optical (NLO) Applications
  Springer Proceedings in Physics 2022 DOI: 10.1007/978-981-16-7691-8_42
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• Investigating functional performance and substituent effect in modelling molecular structure, UV-visible spectra, and optical properties of D-π-A conjugated organic dye molecules: a DFT and TD-DFT study
  Journal of Molecular Modeling 2021 DOI: 10.1007/s00894-021-04824-y
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• Exploring response of Li2 molecule to external electric field: A DFT and SAC-CI study
  Computational and Theoretical Chemistry 2019 DOI: 10.1016/j.comptc.2019.112620
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