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Publications by Pranjali Das
A Model Study on the Stacking Interaction of Phenanthroline Ligand With Nucleic Acid Base Pairs: An Ab Initio, MP2 and DFT Studies
Journal of Biophysical Chemistry
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An Ab Initio MP2 Study of HCN-HX Hydrogen Bonded Complexes
Journal of the Brazilian Chemical Society
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Spin-Forbidden Ligand Binding to the Ferrous-Heme Group: Ab Initio and DFT Studies
An Ab Initio and DFT Study of (N2)2 Dimers
Chemical Physics Letters
Theoretical Chemistry
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Solvent Effects on 2-Methoxyethanol Conformers: An Ab Initio DFT Study Using the SCI-PCModel
Journal of Molecular Structure
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Inorganic Chemistry
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CuNO2 and Cu+NO2 Revisited: A Comparative Ab Initio and DFT Study
CuNO2 and Cu+NO2 Revisited: A Comparative Ab Initio and DFT Study
Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation
Proceedings of the Combustion Institute
Theoretical Chemistry
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Furan-Formic Acid Dimers: An Ab Initio and Matrix Isolation Study
Ligand-Protein Interactions: A Hybrid Ab Initio/Molecular Mechanics Computational Study