All Stories

  1. Theoretical investigation on unimolecular decomposition of malonic acid: a potential sink for ketene

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

    Dr Bhupesh Kumar Mishra

  2. Kinetics, mechanism and thermochemistry of the gas phase reactions of CF3CH2OCH2CF3 with OH radicals: A theoretical study

    Article • Journal of Fluorine Chemistry, May 2014, Elsevier

    Dr Bhupesh Kumar Mishra

  3. Theoretical investigation on gas-phase reaction of CF3CH2OCH3 with OH radicals and fate of alkoxy radicals (CF3CH(O)OCH3/CF3CH2OCH2O)

    Article • Journal of Molecular Graphics and Modelling, May 2014, Elsevier

    Dr Bhupesh Kumar Mishra

  4. A computational perspective on mechanism and kinetics of the reactions of CF3C(O)OCH2CF3 with OH radicals and Cl atoms at 298K

    Article • Journal of Fluorine Chemistry, April 2014, Elsevier

    Dr Bhupesh Kumar Mishra

  5. Theoretical investigation of the atmospheric chemistry of methyl difluoroacetate: reaction with Cl atoms and fate of alkoxy radical at 298 K

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

    Dr Bhupesh Kumar Mishra

  6. A theoretical investigation on the kinetics, mechanism and thermochemistry of gas-phase reactions of methyl acetate with chlorine atoms at 298 K

    Article • Chemical Physics Letters, March 2014, Elsevier

    Dr Bhupesh Kumar Mishra

  7. A DFT study on kinetics of the gas phase reactions of CH3CH2OCF3 with OH radicals and Cl atoms

    Article • Journal of Fluorine Chemistry, March 2014, Elsevier

    Dr Bhupesh Kumar Mishra

  8. Theoretical investigation on the atmospheric fate of the CF3C(O)OCH(O)CF3 radical: alpha-ester rearrangement vs. oxidation

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

    Dr Bhupesh Kumar Mishra

  9. Theoretical investigation of atmospheric chemistry of volatile anaesthetic sevoflurane: reactions with the OH radicals and atmospheric fate of the alkoxy radical (CF3)2CHOCHFO: thermal decomposition vs. oxidation

    Article • New Journal of Chemistry, January 2014, Royal Society of Chemistry

    Dr Bhupesh Kumar Mishra

  10. Catalytic oxidation of NO by Au2− dimers: a DFT study

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

    Dr Bhupesh Kumar Mishra

  11. A computational perspective on the kinetics and thermochemistry of the gas phase reactions of 1, 1-dichlorodimethylether (DCDME) with OH radical at 298 K

    Article • Molecular Physics, October 2013, Taylor & Francis

    Dr Bhupesh Kumar Mishra

  12. Theoretical study on the kinetics and branching ratios of the gas phase reactions of 4,4,4-trifluorobutanal (TFB) with OH radical in the temperature range of 250–400K and atmospheric pressure

    Article • Journal of Fluorine Chemistry, October 2013, Elsevier

    Dr Bhupesh Kumar Mishra

  13. A theoretical investigation on the kinetics and reactivity of the gas-phase reactions of ethyl chlorodifluoroacetate with OH radical and Cl atom at 298 K

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

    Dr Bhupesh Kumar Mishra

  14. Theoretical investigation of the gas-phase reactions of CF2ClC(O)OCH3 with the hydroxyl radical and the chlorine atom at 298 K

    Article • Journal of Molecular Modeling, May 2013, Springer Science + Business Media

    Dr Bhupesh Kumar Mishra

  15. Mechanistic and kinetics study of the gas phase reactions of methyltrifluoroacetate with OH radical and Cl atom

    Article • Molecular Physics, April 2013, Taylor & Francis

    Dr Bhupesh Kumar Mishra

  16. Theoretical study on rate constants for the reactions of CF3CH2NH2 (TFEA) with the hydroxyl radical at 298 K and atmospheric pressure

    Article • Journal of Molecular Modeling, January 2013, Springer Science + Business Media

    Dr Bhupesh Kumar Mishra

  17. Computational study on the thermal decomposition and isomerization of the CH3OCF2O• radical

    Article • Canadian Journal of Chemistry, April 2012, Canadian Science Publishing

    Dr Bhupesh Kumar Mishra

  18. Effect of adenosine on the supramolecular architecture and activity of 5-fluorouracil

    Article • Journal of Molecular Structure, April 2012, Elsevier

    Dr Bhupesh Kumar Mishra

  19. Computational study on decomposition kinetics of CH 3 CFClO radical

    Article • Journal of Chemical Sciences, September 2011, Springer Science + Business Media

    Dr Bhupesh Kumar Mishra

  20. Effect of electron donating substituents on supramolecular structure of salts having phenylphosphonic acid and pyrazoles

    Article • Structural Chemistry, March 2011, Springer Science + Business Media

    Dr Bhupesh Kumar Mishra, Professor Ray J Butcher

  21. Ab initio studies on the decomposition kinetics of CF3OCF2O radical

    Article • Journal of Molecular Modeling, May 2010, Springer Science + Business Media

    Dr Bhupesh Kumar Mishra

  22. Ab initio studies on the reactivity of the CF3OCH2O radical: Thermal decomposition vs. reaction with O2

    Article • Journal of Molecular Modeling, February 2010, Springer Science + Business Media

    Dr Bhupesh Kumar Mishra