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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
2011English

Related publications

An Ab Initio MP2 Study of HCN-HX Hydrogen Bonded Complexes

Journal of the Brazilian Chemical Society
Chemistry
1998English

Spin-Forbidden Ligand Binding to the Ferrous-Heme Group: Ab Initio and DFT Studies

English

An Ab Initio and DFT Study of (N2)2 Dimers

Chemical Physics Letters
Theoretical ChemistryAstronomyPhysicsPhysical
1999English

Solvent Effects on 2-Methoxyethanol Conformers: An Ab Initio DFT Study Using the SCI-PCModel

Journal of Molecular Structure
Organic ChemistryInorganic ChemistryAnalytical ChemistrySpectroscopy
1999English

CuNO2 and Cu+NO2 Revisited: A Comparative Ab Initio and DFT Study

English

CuNO2 and Cu+NO2 Revisited: A Comparative Ab Initio and DFT Study

English

Ab Initio and Kinetic Modeling Studies of Formic Acid Oxidation

Proceedings of the Combustion Institute
Theoretical ChemistryChemical EngineeringMechanical EngineeringPhysical
2015English

Furan-Formic Acid Dimers: An Ab Initio and Matrix Isolation Study

English

Ligand-Protein Interactions: A Hybrid Ab Initio/Molecular Mechanics Computational Study

2019English

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