All Stories

  1. Electron dynamics in molecule-ion under a strong, oscillating magnetic field

    Article • Molecular Physics, October 2019, Taylor & Francis

    Dr Neetu Goel

  2. Graphene Oxide as Proficient Adsorbent for the Removal of Harmful Pesticides: Comprehensive Experimental Cum DFT Investigations

    Article • Analytical Chemistry Letters, May 2019, Taylor & Francis

    Dr Neetu Goel

  3. Morphologically Different Boron Nitride Nanomaterials as Efficient Antibiotic Carriers: Adsorption Isotherm and Kinetics Appraisal

    Article • Analytical Chemistry Letters, March 2018, Taylor & Francis

    Dr Neetu Goel

  4. Adsorption of oxazole and isoxazole on BNNT surface: A DFT study

    Article • Applied Surface Science, February 2015, Elsevier

    Dr Neetu Goel

  5. Regioselective nucleophilic aromatic substitution reactions of 5,7-dinitroquinazoline-4-one and 5,7-dinitroquinazoline-4-thione with methylamine: a mechanistic consideration

    Article • New Journal of Chemistry, January 2015, Royal Society of Chemistry

    Dr Neetu Goel

  6. Effect of substitutional carbon-doping in BNNTs on HF adsorption: DFT study

    Article • Superlattices and Microstructures, November 2014, Elsevier

    Dr Neetu Goel

  7. ChemInform Abstract: A DFT Based Prediction of Gold Fullerene Au92Si12with the Aid of Silicon.

    Article • ChemInform, August 2014, Wiley

    Dr Neetu Goel

  8. A new strategy to tune the BNNT band gap upon adsorption of nitrobenzene and its p-substituted derivatives

    Article • Structural Chemistry, August 2014, Springer Science + Business Media

    Dr Neetu Goel

  9. Menshutkin reaction between DABCO and benzyfluoride/fluorodiphenylmethane: a mechanistic study

    Article • Journal of Molecular Modeling, May 2014, Springer Science + Business Media

    Dr Neetu Goel

  10. DFT study of mechanism of cycloaddition of carbondioxide with tertiary-aziridine

    Article • Structural Chemistry, February 2014, Springer Science + Business Media

    Dr Neetu Goel

  11. A DFT based prediction of gold fullerene Au92Si12 with the aid of silicon

    Article • RSC Advances, January 2014, Royal Society of Chemistry

    Dr Neetu Goel

  12. Activation and adsorption of CO2 on copper surfaces and clusters

    Article • January 2014, American Institute of Physics

    Dr Neetu Goel

  13. Theoretical study on adsorption and dissociation of NO2 molecules on BNNT surface

    Article • Applied Surface Science, October 2013, Elsevier

    Dr Neetu Goel

  14. Theoretical study of DABCO-based ionic liquid: synthesis and reaction mechanism

    Article • Structural Chemistry, September 2013, Springer Science + Business Media

    Dr Neetu Goel

  15. CO2 adsorption and activation over medium sized Cun (n=7, 13 and 19) clusters: A density functional study

    Article • Computational and Theoretical Chemistry, April 2013, Elsevier

    Dr Neetu Goel

  16. Influence of Carbon-Doping by Boron/Nitrogen Substitution in Boron Nitride Nanotube, a Density Functional Theory Study of Nuclear Quadrupole Resonance Parameters

    Article • Journal of Computational and Theoretical Nanoscience, January 2013, American Scientific Publishers

    Dr Neetu Goel

  17. Theoretical and experimental studies on solubility and reactivity behavior of lysergol, elymoclavine, and dihydrolysergol

    Article • International Journal of Quantum Chemistry, October 2012, Wiley

    Dr Neetu Goel

  18. Structural Evolution and Stability of Hydrogenated Li n ( n = 1–30) Clusters: A Density Functional Study

    Article • The Journal of Physical Chemistry A, June 2011, American Chemical Society (ACS)

    Dr Neetu Goel

  19. Density functional studies of Li N and Li N + (N = 2-30) clusters: Structure, binding and charge distribution

    Article • International Journal of Quantum Chemistry, March 2011, Wiley

    Dr Neetu Goel

  20. Structural, Electronic and Optical Properties of Medium Sized Neutral and Cationic Li[sub n] Cluster (n = 2, 8 10 20, 30) by Density Functional Theory

    Article • January 2011, American Institute of Physics

    Dr Neetu Goel

  21. Comparison of Cluster Calculation with Different Software—The Case of Small Clusters

    Article • January 2011, American Institute of Physics

    Dr Neetu Goel