THE RK GROUP

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101. Computational investigation of thermochemistry and kinetics of the reaction between n-butyl peroxy and hydroperoxyl radicals

Vol. 810, PP.140191, Chem. Phys. Lett.

by S.Kuzhanthaivelan, S. Sunitha & B. Rajakumar.

99. Kinetics of IO radicals with C1, C2 aliphatic alcohols in tropospherically relevant conditions

Vol. 30(9), PP.22590-22605., Environ. Sci. Pollut

by K. Mondal & B. Rajakumar.

97. Temperature dependent kinetics for the reaction between OH radicals and (E)- and (Z)- CHF=CHCl: A dual-level computational study”

Vol. 1208, PP.113558, Computational and Theoretical Chemistry

by S. Kuzhanthaivelan, F. Jabeen & B. Rajakumar

96. Kinetics of IO Radicals with Ethyl Formate and Ethyl Acetate: A Study using Cavity Ring-Down Spectroscopy and Theoretical Methods

Vol. 23(45), PP.25974-25993., Phys. Chem. Chem. Phys

by K. Mondal, A. Kumar & B. Rajakumar.

91. Thermal Decomposition of 2-Methyltetrahydrofuran Behind Reflected Shock Waves Over the Temperature Range of 1179-1361 K

Vol. 125 (24), PP.5406-5422., Phys. Chem.

by B. Rajakumar, A. Parandaman and M. Balaganesh

87. Kinetic Investigation of the Reaction of Ethylperoxy Radicals with Ethanol

Vol. 53(2), PP.274-286,

by S. Kuzhanthaivelan & B. Rajakumar

86. Reaction Kinetics of a Series of Alkenes with ClO and BrO Radicals: A Theoretical Study

Vol. 53(2), PP.250-264, Int. J. Chem. Kinet.

by P. Gupta & B. Rajakumar.

85. Reaction Kinetics of a Series of Alkanes with ClO and BrO Radicals: A Theoretical Study

Vol. 53(2), PP.189-206, Chem. Kinet.

by P. Gupta & B. Rajakumar.

81. Theoretical Investigations on the Kinetics of Dimethoxymethane with Peroxy Radicals

Vol. 756, PP.137846, Chem. Phys. Lett

by S. Kuzhanthaivelan & B. Rajakumar

78. Computational investigations on the thermochemistry and kinetics for the autoignition of 2-pentanone

Vol. 219, PP.147-160., Combustion and Flame

by S. Kuzhanthaivelan & B. Rajakumar.

74. Tropospheric Chemistry of Ethyl Tiglate Initiated by Cl Atoms

Vol. 248, PP.137371., Chem. Phys. Lett

by R. C. Balan & B. Rajakumar

70. Reaction kinetics of CH2OO with 1,3-butadiene: Mechanistic investigation with RRKM calculations

Vol. 742, PP.137157., Chem. Phys. Lett

by P. Gupta & B. Rajakumar

63. Cl atom initiated tropospheric chemistry of ethyl butyrate.

Vol. 731, PP.136594, Chem. Phys

by R. C. Balan & B. Rajakumar

57. Excited state C–N bond dissociation and cyclization of tri-aryl amine-based OLED materials: a theoretical investigation.

Vol. 21, PP.438-447, Phys. Chem. Chem. Phys

by J. Vijaya Sundar, V. Subramanian & B. Rajakumar.

56. Photo Oxidation Reaction Kinetics of Ethyl Propionate with Cl Atom and Formation of Propionic Acid.

Vol. 122, PP.8274-8285., J. Phys. Chem

by R. C. Balan & B. Rajakumar

55. Cl-initiated photo-oxidation reactions of methyl propionate in atmospheric condition

Vol. 25, PP.20999-21010, Environ. Sci.

by R. C. Balan & B. Rajakumar

53. Thermochemistry and Kinetic Studies on the Autoignition of 2-Butanone: A Computational Study.

Vol. 122, PP.6134-6146, J. Phys. Chem. A

by . Kuzhanthaivelan & B. Rajakumar

50. Experimental and computational kinetic investigations for the reactions of Cl atoms with unsaturated ketones in gas phase.

Vol. 41, PP.14299-14314., New Journal of Chemistry

by S. Vijayakumar, A. Kumar & B. Rajakumar.

49. Experimental and RRKM investigations on the degradation of ethyl formate.

Vol. 2, PP.11603 – 11614., Chemistry

by B. Rajakumar, M. Balaganseh & A. Parandaman

48. Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether.

Vol. 186, PP.263-276., Combustion and Flame

by A. Parandaman & B. Rajakumar

42. Reaction kinetics of Cl atoms with limonene: An experimental and theoretical study.

Vol. 99, PP.183, Atmos. Environ

by M. R. Dash & B. Rajakumar

41. Thermal Decomposition of 2-Pentanol: A Shock Tube Study and RRKM Calculations.

Vol. 120 (41), PP.8024-8036., J. Phys. Chem.

by A. Parandaman & B. Rajakumar

40. Theoretical investigations on the kinetics of p-cymene + OH reaction.”

Vol. 597, PP.75-85, Chem. Phys. Lett

by M. R. Dash & B. Rajakumar

39. Metal-free bipolar/octupolar organic dyes for DSSC application: A combined experimental and theoretical approach.

Vol. 36, PP.177-184, Organic Electronics

by S. Mandal, S. Kushwaha, R. Mukkamala, S. Vijayakumar, I. S. Aidhen, B. Rajakumar, R. Kothandaraman.

38. Rate coefficients for the gas-phase reaction of OH radical with alpha-pinene: An experimental and computational study.

Vol. 112(11), PP.1495-1511, Molecular Physics

by M. R. Dash, M. Balaganesh, B. Rajakumar

34. Experimental and computational investigation on the gas phase reaction of ethyl formate with Cl atoms.”

Vol. 118(28), PP.5272-5278, J. Phys. Chem

by M. Balaganesh, M. R. Dash, B. Rajakumar

33. Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes?

Vol. 120, PP.4096-4107, Phys. Chem. A

by M. P. Walavalkar, S. Vijayakumar, A. Sharma, B. Rajakumar and S. Dhanya

31. Theoretical investigations on the kinetics of H-abstraction reactions from CF3CH(OH)CF3 by OH radicals”.

Vol. 117(22), PP.4534-4544, J. Phys. Chem. A

by Srinivasulu G., Rajakumar B

30. Measuring Temperature of Reflected Shock Wave Using a Standard Chemical Reaction.

Vol. 96:1, PP.53-61, Journal of the Indian Institute of Science

by M. Kiran Singh, B. Rajakumar & E. Arunan

28. Experimental and theoretical study on thermal decomposition of methyl butanoate behind reflected shock waves.

Vol. 5, PP.86536-50., Soc. Chem

by A. Parandaman, M. Balaganesh & B. Rajakumar. R.

25. Experimental and computational investigation on the gas phase reaction of p-cymene with Cl atoms.

Vol. 119, 4, PP.559-570., Phys. Chem.

by M. R. Dash, G. Srinivasulu, B. Rajakumar.

23. Theoretical investigations of the gas phase reaction of limonene (C10H16) with OH radical.

Vol. 113, 21, PP.3202-15., Molecular Physics

by M.R. Dash & B. Rajakumar.

20. Kinetics of OH radical reaction with CH3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and Transition State Theory Calculations.

Vol. 949, PP.73-81, Journal of Molecular Structure: THEOCHEM. 2010, 949, 73-81.

by Mohamad Akbar Ali, B. Rajakumar.

19. Rate Coefficients for the Reactions of OH with n-propanol and iso-propanol between 235 and 376K.

Vol. 42(1), PP.10-24., Chem. Kinet.

by B. Rajakumar, David C. McCabe, Ranajit K. Talukdar, A. R. Ravishankara.

17. Kinetic study of the reaction of the acetyl radical, CH3CO, with O3 using cavity ring-down spectroscopy.

Vol. 484, PP.160-164, chem.phys

by Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder

16. 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.

Vol. 112, PP.1066-77, International Journal of Quantum Chemistry

by Veerabhadrarao Kaliginedi, Mohamad Akbar Ali and B. Rajakumar

14. Rate coefficients for the reactions of the acetyl radical, CH3CO, with Cl2 between 253 and 384K.

Vol. 41, PP.543-553., Chem. Kinet.

by Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder

12. The CH3CHO quantum yield in the 248 nm photolysis of acetone, methyl ethyl ketone, and biacetyl.

Vol. 199, PP.336-344., Photo. Chem. Photo. Biol.

by B.Rajakumar, Thomasz Gierczak, John E. Flad, A. R. Ravishankara, James B. Burkholder. J

11. Computational studies on CHF2CHFCHF2 (HFC-245ea) + OH reaction between 200 and 400 K.

Vol. 43, PP.418-430, Int. J. Chem. Kinet

by Mohamad Akbar Ali, B. Rajakumar

10. Visible absorption spectrum of acetyl radical.

Vol. 111, PP.8950-8958, Phys. Chem.

by B. Rajakumar, Thomas Gericzak, John E. Flad, A. R. Ravishankara, James B. Burkholder, J

9. Thermodynamic and kinetic studies of hydroxyl radical reaction with bromineoxide using density functional theory.

Vol. 964, PP.283, Computational and Theoretical Chemistry

by Mohamad Akbar Ali, B.Rajakumar

8. Kinetics of Quenching of OH (v=1) and OD (v=1) by H2O and D2O from 260 to 370K.

Vol. 8, PP.4563-94., Phys. Chem. Chem. Phys

by David C. McCabe, B. Rajakumar, P. Marshall, I. W. M. Smith, A. R. Ravishankara.

7. Rate coefficients for the relaxation of OH(v=1) by O2 at Temperatures from 204-371 K and by NO2 from 243-372 K.

Vol. 421, PP.111-117, Chem. Phys

by David C. McCabe, B. Rajakumar, I. W. M. Smith, A. R. Ravishankara.

6. Rate Coefficients for the Reactions of OH with CF3CH2CH3 (HFC-263fb), CF3CHFCH2F (HFC-245eb), and CHF2CHFCHF2 (HFC-245ea) between 238 and 375 K.

Vol. 110, 21, PP.6724–6731, J. Phys. Chem.

by B. Rajakumar, R. W. Portmann, James B. Burkholder, A. R. Ravishankara. J

5. Rate coefficients for the OH + CFH2CH2OH reaction between 238 and 355 K.

Vol. 7, PP.2498-2505, Phys. Chem. Chem. Phys.

by B. Rajakumar, Robert W. Portmann, James B. Burkholder, A. R. Ravishankara

3. Thermal decomposition of 2-fluoroethanol: A Shock Tube and ab initio study.

Vol. 107, PP.9782–9793, J. Phys. Chem

by B. Rajakumar, K. P. J. Reddy, E. Arunan. J

2. Chemical kinetics studies at high temperature using Shock Tubes.

Vol. 82,

by B. Rajakumar, D. Anandraj, K. P. J. Reddy & E. Arunan. J

1. Unimolecular HCl elimination from 1,2-dichloroethane: A Single Pulse Shock Tube and ab initio study

Vol. 106, PP.8366, J. Phys. Chem. A.

by B. Rajakumar, K. P. J. Reddy & E. Arunan.

12. Kinetics of IO Radicals with Ethyl Formate and Ethyl Acetate: A Study using Cavity Ring-Down Spectroscopy and Theoretical Methods

Vol.23(45), PP.25974-25993. Phys. Chem. Chem. Phys

by K. Mondal, A. Kumar & B. Rajakumar.

7. Thermal Decomposition of 2-Methyltetrahydrofuran Behind Reflected Shock Waves Over the Temperature Range of 1179-1361 K

Vol.125 (24), PP.5406-5422. Phys. Chem.

by B. Rajakumar, A. Parandaman and M. Balaganesh

3. Kinetic Investigation of the Reaction of Ethylperoxy Radicals with Ethanol

Vol.53(2), PP.274-286

by S. Kuzhanthaivelan & B. Rajakumar

2. Reaction Kinetics of a Series of Alkenes with ClO and BrO Radicals: A Theoretical Study

Vol.53(2), PP.250-264 Int. J. Chem. Kinet.

by P. Gupta & B. Rajakumar.

1. Reaction Kinetics of a Series of Alkanes with ClO and BrO Radicals: A Theoretical Study

Vol.53(2), PP.189-206 Chem. Kinet.

by P. Gupta & B. Rajakumar.

51. Theoretical Investigations on the Kinetics of Dimethoxymethane with Peroxy Radicals

Vol.756, PP.137846 Chem. Phys. Lett

by S. Kuzhanthaivelan & B. Rajakumar

48. Computational investigations on the thermochemistry and kinetics for the autoignition of 2-pentanone

Vol.219, PP.147-160. Combustion and Flame

by S. Kuzhanthaivelan & B. Rajakumar.

44. Tropospheric Chemistry of Ethyl Tiglate Initiated by Cl Atoms

Vol.248, PP.137371. Chem. Phys. Lett

by R. C. Balan & B. Rajakumar

33. Cl atom initiated tropospheric chemistry of ethyl butyrate.

Vol.731, PP.136594 Chem. Phys

by R. C. Balan & B. Rajakumar

27. Excited state C–N bond dissociation and cyclization of tri-aryl amine-based OLED materials: a theoretical investigation.

Vol.21, PP.438-447 Phys. Chem. Chem. Phys

by J. Vijaya Sundar, V. Subramanian & B. Rajakumar.

25. Cl-initiated photo-oxidation reactions of methyl propionate in atmospheric condition

Vol.25, PP.20999-21010 Environ. Sci.

by R. C. Balan & B. Rajakumar

23. Thermochemistry and Kinetic Studies on the Autoignition of 2-Butanone: A Computational Study.

Vol.122, PP.6134-6146 J. Phys. Chem. A

by . Kuzhanthaivelan & B. Rajakumar

20. Experimental and computational kinetic investigations for the reactions of Cl atoms with unsaturated ketones in gas phase.

Vol.41, PP.14299-14314. New Journal of Chemistry

by S. Vijayakumar, A. Kumar & B. Rajakumar.

19. Experimental and RRKM investigations on the degradation of ethyl formate.

Vol.2, PP.11603 – 11614. Chemistry

by B. Rajakumar, M. Balaganseh & A. Parandaman

18. Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether.

Vol.186, PP.263-276. Combustion and Flame

by A. Parandaman & B. Rajakumar

12. Thermal Decomposition of 2-Pentanol: A Shock Tube Study and RRKM Calculations.

Vol.120 (41), PP.8024-8036. J. Phys. Chem.

by A. Parandaman & B. Rajakumar

11. Metal-free bipolar/octupolar organic dyes for DSSC application: A combined experimental and theoretical approach.

Vol. 36, PP.177-184 Organic Electronics

by S. Mandal, S. Kushwaha, R. Mukkamala, S. Vijayakumar, I. S. Aidhen, B. Rajakumar, R. Kothandaraman.

8. Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes?

Vol.120, PP.4096-4107 Phys. Chem. A

by M. P. Walavalkar, S. Vijayakumar, A. Sharma, B. Rajakumar and S. Dhanya

7. Measuring Temperature of Reflected Shock Wave Using a Standard Chemical Reaction.

Vol.96:1, PP.53-61 Journal of the Indian Institute of Science

by M. Kiran Singh, B. Rajakumar & E. Arunan

6. Experimental and theoretical study on thermal decomposition of methyl butanoate behind reflected shock waves.

Vol.5, PP.86536-50. Soc. Chem

by A. Parandaman, M. Balaganesh & B. Rajakumar. R.

3. Experimental and computational investigation on the gas phase reaction of p-cymene with Cl atoms.

Vol.119, 4, PP.559-570. Phys. Chem.

by M. R. Dash, G. Srinivasulu, B. Rajakumar.

2. Theoretical investigations of the gas phase reaction of limonene (C10H16) with OH radical.

Vol.113, 21, PP.3202-15. Molecular Physics

by M.R. Dash & B. Rajakumar.

15. Reaction kinetics of Cl atoms with limonene: An experimental and theoretical study.

Vol.99, PP.183 Atmos. Environ

by M. R. Dash & B. Rajakumar

14. Theoretical investigations on the kinetics of p-cymene + OH reaction.”

Vol.597, PP.75-85 Chem. Phys. Lett

by M. R. Dash & B. Rajakumar

13. Rate coefficients for the gas-phase reaction of OH radical with alpha-pinene: An experimental and computational study.

Vol.112(11), PP.1495-1511 Molecular Physics

by M. R. Dash, M. Balaganesh, B. Rajakumar

11. Experimental and computational investigation on the gas phase reaction of ethyl formate with Cl atoms.”

Vol.118(28), PP.5272-5278 J. Phys. Chem

by M. Balaganesh, M. R. Dash, B. Rajakumar

9. Theoretical investigations on the kinetics of H-abstraction reactions from CF3CH(OH)CF3 by OH radicals”.

Vol.117(22), PP.4534-4544 J. Phys. Chem. A

by Srinivasulu G., Rajakumar B

4. 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.

Vol.112, PP.1066-77 International Journal of Quantum Chemistry

by Veerabhadrarao Kaliginedi, Mohamad Akbar Ali and B. Rajakumar

2. Computational studies on CHF2CHFCHF2 (HFC-245ea) + OH reaction between 200 and 400 K.

Vol. 43, PP.418-430 Int. J. Chem. Kinet

by Mohamad Akbar Ali, B. Rajakumar

1. Thermodynamic and kinetic studies of hydroxyl radical reaction with bromineoxide using density functional theory.

Vol. 964, PP.283 Computational and Theoretical Chemistry

by Mohamad Akbar Ali, B.Rajakumar

11. Kinetics of OH radical reaction with CH3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and Transition State Theory Calculations.

Vol. 949, PP.73-81 Journal of Molecular Structure: THEOCHEM. 2010, 949, 73-81.

by Mohamad Akbar Ali, B. Rajakumar.

10. Rate Coefficients for the Reactions of OH with n-propanol and iso-propanol between 235 and 376K.

Vol. 42(1), PP.10-24. Chem. Kinet.

by B. Rajakumar, David C. McCabe, Ranajit K. Talukdar, A. R. Ravishankara.

9. Kinetic study of the reaction of the acetyl radical, CH3CO, with O3 using cavity ring-down spectroscopy.

Vol.484, PP.160-164 chem.phys

by Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder

7. Rate coefficients for the reactions of the acetyl radical, CH3CO, with Cl2 between 253 and 384K.

Vol.41, PP.543-553. Chem. Kinet.

by Thomasz Gierczak, B.Rajakumar, John E. Flad, James B. Burkholder

6. The CH3CHO quantum yield in the 248 nm photolysis of acetone, methyl ethyl ketone, and biacetyl.

Vol.199, PP.336-344. Photo. Chem. Photo. Biol.

by B.Rajakumar, Thomasz Gierczak, John E. Flad, A. R. Ravishankara, James B. Burkholder. J

5. Visible absorption spectrum of acetyl radical.

Vol.111, PP.8950-8958 Phys. Chem.

by B. Rajakumar, Thomas Gericzak, John E. Flad, A. R. Ravishankara, James B. Burkholder, J

4. Kinetics of Quenching of OH (v=1) and OD (v=1) by H2O and D2O from 260 to 370K.

Vol.8, PP.4563-94. Phys. Chem. Chem. Phys

by David C. McCabe, B. Rajakumar, P. Marshall, I. W. M. Smith, A. R. Ravishankara.

3. Rate coefficients for the relaxation of OH(v=1) by O2 at Temperatures from 204-371 K and by NO2 from 243-372 K.

Vol.421, PP.111-117 Chem. Phys

by David C. McCabe, B. Rajakumar, I. W. M. Smith, A. R. Ravishankara.

2. Rate Coefficients for the Reactions of OH with CF3CH2CH3 (HFC-263fb), CF3CHFCH2F (HFC-245eb), and CHF2CHFCHF2 (HFC-245ea) between 238 and 375 K.

Vol.110, 21, PP.6724–6731 J. Phys. Chem.

by B. Rajakumar, R. W. Portmann, James B. Burkholder, A. R. Ravishankara. J

1. Rate coefficients for the OH + CFH2CH2OH reaction between 238 and 355 K.

Vol.7, PP.2498-2505 Phys. Chem. Chem. Phys.

by B. Rajakumar, Robert W. Portmann, James B. Burkholder, A. R. Ravishankara

3. Thermal decomposition of 2-fluoroethanol: A Shock Tube and ab initio study.

Vol.107, PP.9782–9793 J. Phys. Chem

by B. Rajakumar, K. P. J. Reddy, E. Arunan. J

2. Chemical kinetics studies at high temperature using Shock Tubes.

Vol. 82,

by B. Rajakumar, D. Anandraj, K. P. J. Reddy & E. Arunan. J

1. Unimolecular HCl elimination from 1,2-dichloroethane: A Single Pulse Shock Tube and ab initio study

Vol.106, PP.8366 J. Phys. Chem. A.

by B. Rajakumar, K. P. J. Reddy & E. Arunan.