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List of works by Santhanamoorthi Nachimuthu

A Benchmark Test Suite for Proton Transfer Energies and its Use to Test Electronic Structure Model Chemistries

scientific article published on 6 March 2012

A First Principles study on Boron-doped Graphene decorated by Ni-Ti-Mg atoms for Enhanced Hydrogen Storage Performance

scientific article

First principles study of organic sensitizers for dye sensitized solar cells: effects of anchoring groups on optoelectronic properties and dye aggregation

scientific article published on 10 December 2015

Nitrogen and Sulfur Compounds in Atmospheric Aerosols: A New Parametrization of Polarized Molecular Orbital Model Chemistry and Its Validation against Converged CCSD(T) Calculations for Large Clusters

article

Polarized Molecular Orbital Model Chemistry 3. The PMO Method Extended to Organic Chemistry

scientific article published on January 2013

Temperature-programmed desorption studies of NH3 and H2O on the RuO2(110) surface: effects of adsorbate diffusion

scientific article published on 01 September 2018

Theoretical studies on effective metal-to-ligand charge transfer characteristics of novel ruthenium dyes for dye sensitized solar cells

scientific article published on 18 April 2014

Theoretical study on molecular design and optical properties of organic sensitizers

scientific article

Understanding the Role of Dopant Metal Atoms on the Structural and Electronic Properties of Lithium-Rich Li1.2Ni0.2Mn0.6O2 Cathode Material for Lithium-Ion Batteries

scientific article published on 12 August 2019

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