Publications

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  1. Experimental and theoretical investigations on the reaction of 1,3-butadiene with Cl atom in the gas phase, S.Vijayakumar and B.Rajakumar, JPCA (just accepted)
    Year of Publication : 2017
  2. Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500 K: A DFT study, A. Parandaman and B. Rajakumar, Chemical Physics, 491(2017), 82-94.
    Year of Publication : 2017
  3. Kinetic investigations of Cl atoms initiated photo oxidation reactions of cyclic unsaturated hydrocarbons in the gas phase: an experimental and theoretical study, S.Vijayakumar, C.B Ramya, Avinash Kumar and B.Rajakumar, NJC (just accepted)
    Year of Publication : 2017
  4. An Experimental and Computational Study on the Cl Atom Initiated Photo-Oxidization Reactions of Butenes in the Gas Phase, S.Vijayakumar and B.Rajakumar, JPCA (just accepted)
    Year of Publication : 2017
  5. Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether, A. Parandaman and B. Rajakumar, Combustion and Flame, 186 (2017), 263-276.
    Year of Publication : 2017
  6. Measuring Temperature of Reflected Shock Wave Using a Standard Chemical Reaction, M. Kiran Singh, B. Rajakumar and E. Arunan, Journal of the Indian Institute of Science, 2016, 96,1.
    Year of Publication : 2016
  7. Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes? M. P. Walavalkar, S. Vijayakumar, A. Sharma, B. Rajakumar and S. Dhanya, J.Phys.Chem.A, 2016, 120, 4096-4107.
    Year of Publication : 2016
  8. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde (C10H16O2) with Cl atoms between 200 and 400 K: A DFT study, G SRINIVASULU and B RAJAKUMAR, J. Chem. Sci., 2016, 128, 977-989.
    Year of Publication : 2016
  9. Kinetics of the thermal decomposition of tetramethylsilane behind the reflected shock waves between 1058 and 1194 K, A. PARANDAMAN and B. RAJAKUMAR, J. Chem. Sci., 2016, 128, 573-588.
    Year of Publication : 2016
  10. Thermal Decomposition of 2-Pentanol: A Shock Tube Study and RRKM Calculations Parandaman Arathala, and Balla Rajakumar,J. Phys. Chem. A, DOI: 10.1021/acs.jpca.6b06386.
    Year of Publication : 2016
  11. Kinetic investigations of chlorine atom initiated photo oxidation reactions of 2,3-dimethyl-1,3- butadiene in the gas phase: an experimental and theoretical study, S. Vijayakumar and B. Rajakumar, RSC Adv., 2016, 6, 67739.
    Year of Publication : 2016
  12. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods; Dash, M.R., Rajakumar, B.; Physical Chemistry Chemical Physics, Volume 17, Issue 5, 7 February 2015, Pages 3142-3156.
    Year of Publication : 2015
  13. Theoretical investigations of the gas phase reaction of limonene (C10H16) with OH radical; Dash,M.R., Rajakumar,B.; Molecular Physics, 1 February 2015, 14p.
    Year of Publication : 2015
  14. Experimental and computational investigation on the gas phase reaction of p-cymene with Cl atoms; Dash, M.R., Srinivasulu, G., Rajakumar, B.; Journal of Physical Chemistry A, Volume 119, Issue 4, 29 January 2015, Pages 559-570.
    Year of Publication : 2015
  15. Experimental and computational investigation on the gas phase reaction of ethyl formate with Cl atoms.; Balaganesh, M., Dash, M.R., Rajakumar, B.; Journal of Physical chemistry A , Volume 118, Issue 28, 17 July 2014, Pages 5272-5278.
    Year of Publication : 2015
  16. Theoretical investigations on the kinetics of p-cymene + OH reaction. Dash, M.R., Rajakumar, B.; Chemical Physics Letters, Volume 597, 28 March 2014, Pages 75-85.
    Year of Publication : 2015
  17. Mechanism, kinetics and atmospheric fate of CF3CHCH2, CF3CFCH2, and CF3CFCF2 by its reaction with OH-radicals: CVT/SCT/ISPE and hybrid meta-DFT methods. Balaganesh,M., Rajakumar, B.; Journal of Molecular Graphics and Modelling, Volume 48, March 2014, Pages 60-69.
    Year of Publication : 2015
  18. Thermal decomposition of 1-chloropropane behind the reflected shock waves in the temperature range of 1015-1220 K: Single pulse shock tube and computational studies. Sudhakar, G., Rajakumar, B.; Journal of Chemical Sciences, Volume 126, Issue 4, July 2014, Pages 897-909.
    Year of Publication : 2015
  19. Gas Phase Kinetics of 2, 2, 2-trifluoroethylbutyrate with Cl Atom: An Experimental and Theoretical Study. Srinivasulu Gonu and Balla Rajakumar, J.Phys.Chem.A 2015, 119, 9294-9306
    Year of Publication : 2015
  20. Experimental and theoretical study on thermal decomposition of methyl butanoate behind reflected shock waves; A. Parandaman, M. Balaganesh and B. Rajakumar; RSC Adv., 2015, 5, 86536-86550.
    Year of Publication : 2015
  21. “Reaction kinetics of Cl atoms with limonene: An experimental and theoretics study” Manas Ranja Dash, B. Rajakumar. Atmos. Environ. 2104, 99, 183
    Year of Publication : 2014
  22. Rate coefficients for the gas-phase reaction of OH radical with alpha-pinene: An experimental and computational study. Dash, M.R., Balaganesh,M., Rajakumar, B.; Molecular Physics, Volume 112, Issue 11, 3 June 2014, Pages 1495-1511.
    Year of Publication : 2014
  23. Experimental and theoretical rate coefficients for the gas phase reaction of beta-Pinene with OH radical.; Dash, M.R., Rajakumar, B; Atmospheric Environment, Volume 79, November 2013, Pages 161-171.
    Year of Publication : 2014
  24. Theoretical investigations on the kinetics of H-abstraction reactions from CF3CH(OH)CF3 by OH radicals. Srinivasulu, G., Rajakumar, B.; Journal of Physical Chemistry A, Volume 117, Issue 22, 2013, Pages 4534-4544.
    Year of Publication : 2013
  25. Rate coefficients and reaction mechanism for the reaction of OH radicals with (E)-CF 3CH=CHF, (Z)-CF 3CH=CHF, (E)-CF3CF=CHF, and (Z)-CF 3CF=CHF between 200 and 400 K: Hybrid density functional theory and canonical variational transition state theory calculations.;Balaganesh,M.,Rajakumar, B.; Journal of Physical Chemistry A, Volume 116, Issue 40, 11 October 2012, Pages 9835-9842.
    Year of Publication : 2012
  1. Rate Coefficients for the Reaction of hydroxyl radical with FCH2CH2OH between 250 and 355K; B. Rajakumar, Robert W. Portmann, James B. Burkholder, A. R. Ravishankara. Phys. Chem. Chem. Phys. 2005, 7, 2498-2505.
    Year of Publication : 2005
  2. Thermal decomposition of 2-fluoroethanol: A Shock Tube and ab initio study. B.Rajakumar, K. P. J. Reddy, E. Arunan. J. Phys. Chem. A. 2003, 107, 9782- 9793.
    Year of Publication : 2003
  3. Ab initio, DFT and transition state theory calculations on 1, 2-HF, HCI and CIF elimination reactions from CH2FCH2Cl. B.Rajakumar, E. Arunan. Phys. Chem. Chem. Phys. 2003, 5, 3897-3904.
    Year of Publication : 2003
  4. Unimolecular HCl elimination from 1,2-dichloroethane: A Single Pulse Shock Tube and ab initio study. B.Rajakumar, K. P. J. Reddy, E. Arunan. J. Phys. Chem. A 2002, 106, 8366.
    Year of Publication : 2002
  5. Chemical kinetics studies at high temperature using Shock Tubes B.Rajakumar, D. Anandraj, K. P. J. Reddy and E. Arunan. J. Ind. Inst. Sci. 2002, 82, 37.
    Year of Publication : 2002
  1. Rate coefficients for the Reaction of OH with CF3CH2CH3 (HFC-263fb) between 200 and 400K: ab initio, DFT and Transitions State Theory Calculations Mohamad Akbar Ali, B. Rajakumar. J. Comp. Chem. 2010, 31, 500-509.
    Year of Publication : 2010
  2. Kinetic study of the reaction of the acetyl radical, CH3CO, with O3 using cavity ring-down spectroscopy Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder. Chem. Phys. Lett. 2010, 484, 160-164.
    Year of Publication : 2010
  3. Rate Coefficients for the Reactions of OH with n-propanol and iso-propanol between 235 and 376K B.Rajakumar, David C. McCabe, Ranajit K. Talukdar, A. R. Ravishankara, Int. J. Chem. Kinet. 2010, 43, 10.
    Year of Publication : 2010
  4. Kinetics of OH radical reaction with CH3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and Transition State Theory Calculations Mohamad Akbar Ali, B.Rajakumar. Journal of Molecular Structure: THEOCHEM, 2010, 949, 73.
    Year of Publication : 2010
  5. Rate coefficients for the reactions of the acetyl radical, CH3CO, with Cl2 between 253 and 384K Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder. Int. J. Chem. Kinet. 2009, 41, 543-553.
    Year of Publication : 2009
  6. The CH3CHO quantum yield in the 248 nm photolysis of acetone, methyl ethyl ketone, and biacetyl B.Rajakumar, Thomasz Gierczak, John E. Flad, A. R. Ravishankara, James B. Burkholder. J. Photo. Chem. Photo. Biol. A: Chemistry, 2008, 199, 336-344.
    Year of Publication : 2008
  7. Visible absorption spectrum of acetyl radical B. Rajakumar, Thomas Gericzak, John E. Flad, A. R. Ravishankara, James B. Burkholder, J. Phys. Chem. A. 2007, 111, 8950-8958. (Cover page Article, issue 37).
    Year of Publication : 2007
  8. Kinetics of the reaction of OH radical with CF3CH2CH3, CHF2CHFCHF2 and CF3CHFCHF2 in the temperature range of 238-375K; B. Rajakumar, R. W. Portmann, James B. Burkholder, A. R. Ravishankara. J. Phys. Chem. A. 2006, 110, 6724.
    Year of Publication : 2006
  9. Rate coefficients for the relaxation of OH(v=1) by O2at Temperatures from 204-371 K and by NO2 from 243-372 K. David C. McCabe, B.Rajakumar, I. W. M. Smith, A. R. Ravishankara. Chem. Phys. Lett. 2006, 421, 111-117.
    Year of Publication : 2006
  10. Kinetics of Quenching of OH (v=1) and OD (v=1) by H2O and D2O from 260 to 370K; David C. McCabe, B.Rajakumar, P. Marshall, I. W. M. Smith, A. R. Ravishankara. Phys. Chem. Chem. Phys. 2006, 8, 4563.
    Year of Publication : 2006
  1. Experimental and theoretical investigations on the reaction of 1,3-butadiene with Cl atom in the gas phase, S.Vijayakumar and B.Rajakumar, JPCA (just accepted)
    Year of Publication : 2017
  2. Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500 K: A DFT study, A. Parandaman and B. Rajakumar, Chemical Physics, 491(2017), 82-94.
    Year of Publication : 2017
  3. Kinetic investigations of Cl atoms initiated photo oxidation reactions of cyclic unsaturated hydrocarbons in the gas phase: an experimental and theoretical study, S.Vijayakumar, C.B Ramya, Avinash Kumar and B.Rajakumar, NJC (just accepted)
    Year of Publication : 2017
  4. An Experimental and Computational Study on the Cl Atom Initiated Photo-Oxidization Reactions of Butenes in the Gas Phase, S.Vijayakumar and B.Rajakumar, JPCA (just accepted)
    Year of Publication : 2017
  5. Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether, A. Parandaman and B. Rajakumar, Combustion and Flame, 186 (2017), 263-276.
    Year of Publication : 2017
  6. Measuring Temperature of Reflected Shock Wave Using a Standard Chemical Reaction, M. Kiran Singh, B. Rajakumar and E. Arunan, Journal of the Indian Institute of Science, 2016, 96,1.
    Year of Publication : 2016
  7. Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes? M. P. Walavalkar, S. Vijayakumar, A. Sharma, B. Rajakumar and S. Dhanya, J.Phys.Chem.A, 2016, 120, 4096-4107.
    Year of Publication : 2016
  8. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde (C10H16O2) with Cl atoms between 200 and 400 K: A DFT study, G SRINIVASULU and B RAJAKUMAR, J. Chem. Sci., 2016, 128, 977-989.
    Year of Publication : 2016
  9. Kinetics of the thermal decomposition of tetramethylsilane behind the reflected shock waves between 1058 and 1194 K, A. PARANDAMAN and B. RAJAKUMAR, J. Chem. Sci., 2016, 128, 573-588.
    Year of Publication : 2016
  10. Thermal Decomposition of 2-Pentanol: A Shock Tube Study and RRKM Calculations Parandaman Arathala, and Balla Rajakumar,J. Phys. Chem. A, DOI: 10.1021/acs.jpca.6b06386.
    Year of Publication : 2016
  11. Kinetic investigations of chlorine atom initiated photo oxidation reactions of 2,3-dimethyl-1,3- butadiene in the gas phase: an experimental and theoretical study, S. Vijayakumar and B. Rajakumar, RSC Adv., 2016, 6, 67739.
    Year of Publication : 2016
  12. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods; Dash, M.R., Rajakumar, B.; Physical Chemistry Chemical Physics, Volume 17, Issue 5, 7 February 2015, Pages 3142-3156.
    Year of Publication : 2015
  13. Theoretical investigations of the gas phase reaction of limonene (C10H16) with OH radical; Dash,M.R., Rajakumar,B.; Molecular Physics, 1 February 2015, 14p.
    Year of Publication : 2015
  14. Experimental and computational investigation on the gas phase reaction of p-cymene with Cl atoms; Dash, M.R., Srinivasulu, G., Rajakumar, B.; Journal of Physical Chemistry A, Volume 119, Issue 4, 29 January 2015, Pages 559-570.
    Year of Publication : 2015
  15. Experimental and computational investigation on the gas phase reaction of ethyl formate with Cl atoms.; Balaganesh, M., Dash, M.R., Rajakumar, B.; Journal of Physical chemistry A , Volume 118, Issue 28, 17 July 2014, Pages 5272-5278.
    Year of Publication : 2015
  16. Theoretical investigations on the kinetics of p-cymene + OH reaction. Dash, M.R., Rajakumar, B.; Chemical Physics Letters, Volume 597, 28 March 2014, Pages 75-85.
    Year of Publication : 2015
  17. Mechanism, kinetics and atmospheric fate of CF3CHCH2, CF3CFCH2, and CF3CFCF2 by its reaction with OH-radicals: CVT/SCT/ISPE and hybrid meta-DFT methods. Balaganesh,M., Rajakumar, B.; Journal of Molecular Graphics and Modelling, Volume 48, March 2014, Pages 60-69.
    Year of Publication : 2015
  18. Thermal decomposition of 1-chloropropane behind the reflected shock waves in the temperature range of 1015-1220 K: Single pulse shock tube and computational studies. Sudhakar, G., Rajakumar, B.; Journal of Chemical Sciences, Volume 126, Issue 4, July 2014, Pages 897-909.
    Year of Publication : 2015
  19. Gas Phase Kinetics of 2, 2, 2-trifluoroethylbutyrate with Cl Atom: An Experimental and Theoretical Study. Srinivasulu Gonu and Balla Rajakumar, J.Phys.Chem.A 2015, 119, 9294-9306
    Year of Publication : 2015
  20. Experimental and theoretical study on thermal decomposition of methyl butanoate behind reflected shock waves; A. Parandaman, M. Balaganesh and B. Rajakumar; RSC Adv., 2015, 5, 86536-86550.
    Year of Publication : 2015
  21. “Reaction kinetics of Cl atoms with limonene: An experimental and theoretics study” Manas Ranja Dash, B. Rajakumar. Atmos. Environ. 2104, 99, 183
    Year of Publication : 2014
  22. Rate coefficients for the gas-phase reaction of OH radical with alpha-pinene: An experimental and computational study. Dash, M.R., Balaganesh,M., Rajakumar, B.; Molecular Physics, Volume 112, Issue 11, 3 June 2014, Pages 1495-1511.
    Year of Publication : 2014
  23. Experimental and theoretical rate coefficients for the gas phase reaction of beta-Pinene with OH radical.; Dash, M.R., Rajakumar, B; Atmospheric Environment, Volume 79, November 2013, Pages 161-171.
    Year of Publication : 2014
  24. Theoretical investigations on the kinetics of H-abstraction reactions from CF3CH(OH)CF3 by OH radicals. Srinivasulu, G., Rajakumar, B.; Journal of Physical Chemistry A, Volume 117, Issue 22, 2013, Pages 4534-4544.
    Year of Publication : 2013
  25. Rate coefficients and reaction mechanism for the reaction of OH radicals with (E)-CF 3CH=CHF, (Z)-CF 3CH=CHF, (E)-CF3CF=CHF, and (Z)-CF 3CF=CHF between 200 and 400 K: Hybrid density functional theory and canonical variational transition state theory calculations.;Balaganesh,M.,Rajakumar, B.; Journal of Physical Chemistry A, Volume 116, Issue 40, 11 October 2012, Pages 9835-9842.
    Year of Publication : 2012
  26. Kinetic parameters for the reaction of OH radical initiated atmospheric oxidation of (E)-2-pentenal: Ab initio and transition state theory calculations,Upendra, B., Lakshmi Prasanna, D.S., Rajakumar, B.Current Science, Volume 102, Issue 3, February 2012, Pages 460-469.
    Year of Publication : 2012
  27. Thermodynamic and kinetic studies of hydroxyl radical reaction with bromineoxide using density functional theory Mohamad Akbar Ali, B.Rajakumar. Computational and Theoretical Chemistry, 2011, 964, 283.
    Year of Publication : 2011
  28. Computational studies on CHF2CHFCHF2 (HFC-245ea) + OH reaction between 200 and 400 K: Gaussian-3 and transition state theory calculations Mohamad Akbar Ali, B.Rajakumar. International Journal of Chemical Kinetics, 2011, (Accepted).
    Year of Publication : 2011
  29. Kinetic parameters of OH radical reaction with CH3OCH2F (HFE-161) in the temperature range of 200 400 K: Transition State Theory and ab initio calculations Veerabhadrarao Kaliginedi, Mohamad Akbar Ali and B.Rajakumar. International Journal of Quantum Chemistry 111 (2011), DOI: 10.1002/qua.23075.
    Year of Publication : 2011
  30. “Abstraction Kinetics of H-Atom by OH Radical from Pinonaldehyde: Ab Initio and Transition-State Theory Calculations” Manas Ranjan Dash and B. Rajakumar; J. Phys. Chem. A, 2012, 116, 5856-5866.Link
    Year of Publication : 2011
  31. Kinetic parameters of abstraction reactions of OH radical with ethylene, fluoroethylene, cis- and trans-1,2-difluoroethylene and 1,1-difluoroethylene, in the temperature range of 200-400 K: Gaussian-3/B3LYP theory,Ali, M.A., Upendra, B., Rajakumar, B.Chemical Physics Letters, Volume 511, Issue 4-6, 5 August 2011, Pages 440-446.
    Year of Publication : 2011
  32. ISSW 30
    Year of Publication : 2010
  1. Experimental and theoretical investigations on the reaction of 1,3-butadiene with Cl atom in the gas phase, S.Vijayakumar and B.Rajakumar, JPCA (just accepted)
    Year of Publication : 2017
  2. Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500 K: A DFT study, A. Parandaman and B. Rajakumar, Chemical Physics, 491(2017), 82-94.
    Year of Publication : 2017
  3. Kinetic investigations of Cl atoms initiated photo oxidation reactions of cyclic unsaturated hydrocarbons in the gas phase: an experimental and theoretical study, S.Vijayakumar, C.B Ramya, Avinash Kumar and B.Rajakumar, NJC (just accepted)
    Year of Publication : 2017
  4. An Experimental and Computational Study on the Cl Atom Initiated Photo-Oxidization Reactions of Butenes in the Gas Phase, S.Vijayakumar and B.Rajakumar, JPCA (just accepted)
    Year of Publication : 2017
  5. Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether, A. Parandaman and B. Rajakumar, Combustion and Flame, 186 (2017), 263-276.
    Year of Publication : 2017
  6. Measuring Temperature of Reflected Shock Wave Using a Standard Chemical Reaction, M. Kiran Singh, B. Rajakumar and E. Arunan, Journal of the Indian Institute of Science, 2016, 96,1.
    Year of Publication : 2016
  7. Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes? M. P. Walavalkar, S. Vijayakumar, A. Sharma, B. Rajakumar and S. Dhanya, J.Phys.Chem.A, 2016, 120, 4096-4107.
    Year of Publication : 2016
  8. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde (C10H16O2) with Cl atoms between 200 and 400 K: A DFT study, G SRINIVASULU and B RAJAKUMAR, J. Chem. Sci., 2016, 128, 977-989.
    Year of Publication : 2016
  9. Kinetics of the thermal decomposition of tetramethylsilane behind the reflected shock waves between 1058 and 1194 K, A. PARANDAMAN and B. RAJAKUMAR, J. Chem. Sci., 2016, 128, 573-588.
    Year of Publication : 2016
  10. Thermal Decomposition of 2-Pentanol: A Shock Tube Study and RRKM Calculations Parandaman Arathala, and Balla Rajakumar,J. Phys. Chem. A, DOI: 10.1021/acs.jpca.6b06386.
    Year of Publication : 2016
  11. Kinetic investigations of chlorine atom initiated photo oxidation reactions of 2,3-dimethyl-1,3- butadiene in the gas phase: an experimental and theoretical study, S. Vijayakumar and B. Rajakumar, RSC Adv., 2016, 6, 67739.
    Year of Publication : 2016
  12. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods; Dash, M.R., Rajakumar, B.; Physical Chemistry Chemical Physics, Volume 17, Issue 5, 7 February 2015, Pages 3142-3156.
    Year of Publication : 2015
  13. Theoretical investigations of the gas phase reaction of limonene (C10H16) with OH radical; Dash,M.R., Rajakumar,B.; Molecular Physics, 1 February 2015, 14p.
    Year of Publication : 2015
  14. Experimental and computational investigation on the gas phase reaction of p-cymene with Cl atoms; Dash, M.R., Srinivasulu, G., Rajakumar, B.; Journal of Physical Chemistry A, Volume 119, Issue 4, 29 January 2015, Pages 559-570.
    Year of Publication : 2015
  15. Experimental and computational investigation on the gas phase reaction of ethyl formate with Cl atoms.; Balaganesh, M., Dash, M.R., Rajakumar, B.; Journal of Physical chemistry A , Volume 118, Issue 28, 17 July 2014, Pages 5272-5278.
    Year of Publication : 2015
  16. Theoretical investigations on the kinetics of p-cymene + OH reaction. Dash, M.R., Rajakumar, B.; Chemical Physics Letters, Volume 597, 28 March 2014, Pages 75-85.
    Year of Publication : 2015
  17. Mechanism, kinetics and atmospheric fate of CF3CHCH2, CF3CFCH2, and CF3CFCF2 by its reaction with OH-radicals: CVT/SCT/ISPE and hybrid meta-DFT methods. Balaganesh,M., Rajakumar, B.; Journal of Molecular Graphics and Modelling, Volume 48, March 2014, Pages 60-69.
    Year of Publication : 2015
  18. Thermal decomposition of 1-chloropropane behind the reflected shock waves in the temperature range of 1015-1220 K: Single pulse shock tube and computational studies. Sudhakar, G., Rajakumar, B.; Journal of Chemical Sciences, Volume 126, Issue 4, July 2014, Pages 897-909.
    Year of Publication : 2015
  19. Gas Phase Kinetics of 2, 2, 2-trifluoroethylbutyrate with Cl Atom: An Experimental and Theoretical Study. Srinivasulu Gonu and Balla Rajakumar, J.Phys.Chem.A 2015, 119, 9294-9306
    Year of Publication : 2015
  20. Experimental and theoretical study on thermal decomposition of methyl butanoate behind reflected shock waves; A. Parandaman, M. Balaganesh and B. Rajakumar; RSC Adv., 2015, 5, 86536-86550.
    Year of Publication : 2015
  21. “Reaction kinetics of Cl atoms with limonene: An experimental and theoretics study” Manas Ranja Dash, B. Rajakumar. Atmos. Environ. 2104, 99, 183
    Year of Publication : 2014
  22. Rate coefficients for the gas-phase reaction of OH radical with alpha-pinene: An experimental and computational study. Dash, M.R., Balaganesh,M., Rajakumar, B.; Molecular Physics, Volume 112, Issue 11, 3 June 2014, Pages 1495-1511.
    Year of Publication : 2014
  23. Experimental and theoretical rate coefficients for the gas phase reaction of beta-Pinene with OH radical.; Dash, M.R., Rajakumar, B; Atmospheric Environment, Volume 79, November 2013, Pages 161-171.
    Year of Publication : 2014
  24. Theoretical investigations on the kinetics of H-abstraction reactions from CF3CH(OH)CF3 by OH radicals. Srinivasulu, G., Rajakumar, B.; Journal of Physical Chemistry A, Volume 117, Issue 22, 2013, Pages 4534-4544.
    Year of Publication : 2013
  25. Rate coefficients and reaction mechanism for the reaction of OH radicals with (E)-CF 3CH=CHF, (Z)-CF 3CH=CHF, (E)-CF3CF=CHF, and (Z)-CF 3CF=CHF between 200 and 400 K: Hybrid density functional theory and canonical variational transition state theory calculations.;Balaganesh,M.,Rajakumar, B.; Journal of Physical Chemistry A, Volume 116, Issue 40, 11 October 2012, Pages 9835-9842.
    Year of Publication : 2012
  26. Kinetic parameters for the reaction of OH radical initiated atmospheric oxidation of (E)-2-pentenal: Ab initio and transition state theory calculations,Upendra, B., Lakshmi Prasanna, D.S., Rajakumar, B.Current Science, Volume 102, Issue 3, February 2012, Pages 460-469.
    Year of Publication : 2012
  27. Thermodynamic and kinetic studies of hydroxyl radical reaction with bromineoxide using density functional theory Mohamad Akbar Ali, B.Rajakumar. Computational and Theoretical Chemistry, 2011, 964, 283.
    Year of Publication : 2011
  28. Computational studies on CHF2CHFCHF2 (HFC-245ea) + OH reaction between 200 and 400 K: Gaussian-3 and transition state theory calculations Mohamad Akbar Ali, B.Rajakumar. International Journal of Chemical Kinetics, 2011, (Accepted).
    Year of Publication : 2011
  29. Kinetic parameters of OH radical reaction with CH3OCH2F (HFE-161) in the temperature range of 200 400 K: Transition State Theory and ab initio calculations Veerabhadrarao Kaliginedi, Mohamad Akbar Ali and B.Rajakumar. International Journal of Quantum Chemistry 111 (2011), DOI: 10.1002/qua.23075.
    Year of Publication : 2011
  30. “Abstraction Kinetics of H-Atom by OH Radical from Pinonaldehyde: Ab Initio and Transition-State Theory Calculations” Manas Ranjan Dash and B. Rajakumar; J. Phys. Chem. A, 2012, 116, 5856-5866.Link
    Year of Publication : 2011
  31. Kinetic parameters of abstraction reactions of OH radical with ethylene, fluoroethylene, cis- and trans-1,2-difluoroethylene and 1,1-difluoroethylene, in the temperature range of 200-400 K: Gaussian-3/B3LYP theory,Ali, M.A., Upendra, B., Rajakumar, B.Chemical Physics Letters, Volume 511, Issue 4-6, 5 August 2011, Pages 440-446.
    Year of Publication : 2011
  32. Rate coefficients for the Reaction of OH with CF3CH2CH3 (HFC-263fb) between 200 and 400K: ab initio, DFT and Transitions State Theory Calculations Mohamad Akbar Ali, B. Rajakumar. J. Comp. Chem. 2010, 31, 500-509.
    Year of Publication : 2010
  33. Kinetic study of the reaction of the acetyl radical, CH3CO, with O3 using cavity ring-down spectroscopy Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder. Chem. Phys. Lett. 2010, 484, 160-164.
    Year of Publication : 2010
  34. Rate Coefficients for the Reactions of OH with n-propanol and iso-propanol between 235 and 376K B.Rajakumar, David C. McCabe, Ranajit K. Talukdar, A. R. Ravishankara, Int. J. Chem. Kinet. 2010, 43, 10.
    Year of Publication : 2010
  35. Kinetics of OH radical reaction with CH3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and Transition State Theory Calculations Mohamad Akbar Ali, B.Rajakumar. Journal of Molecular Structure: THEOCHEM, 2010, 949, 73.
    Year of Publication : 2010
  36. ISSW 30
    Year of Publication : 2010
  37. Rate coefficients for the reactions of the acetyl radical, CH3CO, with Cl2 between 253 and 384K Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder. Int. J. Chem. Kinet. 2009, 41, 543-553.
    Year of Publication : 2009
  38. The CH3CHO quantum yield in the 248 nm photolysis of acetone, methyl ethyl ketone, and biacetyl B.Rajakumar, Thomasz Gierczak, John E. Flad, A. R. Ravishankara, James B. Burkholder. J. Photo. Chem. Photo. Biol. A: Chemistry, 2008, 199, 336-344.
    Year of Publication : 2008
  39. Visible absorption spectrum of acetyl radical B. Rajakumar, Thomas Gericzak, John E. Flad, A. R. Ravishankara, James B. Burkholder, J. Phys. Chem. A. 2007, 111, 8950-8958. (Cover page Article, issue 37).
    Year of Publication : 2007
  40. Kinetics of the reaction of OH radical with CF3CH2CH3, CHF2CHFCHF2 and CF3CHFCHF2 in the temperature range of 238-375K; B. Rajakumar, R. W. Portmann, James B. Burkholder, A. R. Ravishankara. J. Phys. Chem. A. 2006, 110, 6724.
    Year of Publication : 2006
  41. Rate coefficients for the relaxation of OH(v=1) by O2at Temperatures from 204-371 K and by NO2 from 243-372 K. David C. McCabe, B.Rajakumar, I. W. M. Smith, A. R. Ravishankara. Chem. Phys. Lett. 2006, 421, 111-117.
    Year of Publication : 2006
  42. Kinetics of Quenching of OH (v=1) and OD (v=1) by H2O and D2O from 260 to 370K; David C. McCabe, B.Rajakumar, P. Marshall, I. W. M. Smith, A. R. Ravishankara. Phys. Chem. Chem. Phys. 2006, 8, 4563.
    Year of Publication : 2006
  43. Rate Coefficients for the Reaction of hydroxyl radical with FCH2CH2OH between 250 and 355K; B. Rajakumar, Robert W. Portmann, James B. Burkholder, A. R. Ravishankara. Phys. Chem. Chem. Phys. 2005, 7, 2498-2505.
    Year of Publication : 2005
  44. Thermal decomposition of 2-fluoroethanol: A Shock Tube and ab initio study. B.Rajakumar, K. P. J. Reddy, E. Arunan. J. Phys. Chem. A. 2003, 107, 9782- 9793.
    Year of Publication : 2003
  45. Ab initio, DFT and transition state theory calculations on 1, 2-HF, HCI and CIF elimination reactions from CH2FCH2Cl. B.Rajakumar, E. Arunan. Phys. Chem. Chem. Phys. 2003, 5, 3897-3904.
    Year of Publication : 2003
  46. Chemical kinetics studies at high temperature using Shock Tubes B.Rajakumar, D. Anandraj, K. P. J. Reddy and E. Arunan. J. Ind. Inst. Sci. 2002, 82, 37.
    Year of Publication : 2002
  47. Unimolecular HCl elimination from 1,2-dichloroethane: A Single Pulse Shock Tube and ab initio study. B.Rajakumar, K. P. J. Reddy, E. Arunan. J. Phys. Chem. A 2002, 106, 8366.
    Year of Publication : 2002