by P. K. Bej and B. Rajakumar
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- Department of Chemistry, Indian Institute of Technology Madras, Chennai - 600036, Tamil Nadu, India.
- +91 44 2257 4231
- rajakumar@iitm.ac.in
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Journal Article
111. Bimolecular kinetics of Criegee intermediate (CH2OO) with 2-pentanone: experimental and theoretical analysis in atmospheric conditions
Environ. Sci. Pollut. Res. Int.
by A Debnath and B Rajakumar
110. An experimental and theoretical study of photo-oxidation reaction of 2-methyl tetrahydrofuran with Cl atom under atmospheric conditions
Vol. 31, PP.51473–51488, Environ. Sci. Pollut. Res. Int.
by S. Nayak and B. Rajakumar
109. OH radical and Cl atom initiated Reactions of Methyl n-propyl ether: Kinetics and Atmospheric Implications
Vol. 336, PP.120717, Atmos. Environ.
by B. Kar and B. Rajakumar
108. High-Temperature Pyrolysis Study of 2-Methyl-2-butanol behind Reflected Shock Wave: Shock Tube and Computational Study
Vol. 128, PP.5691–5706, J. Phys. Chem. A
by S. Nayak and B. Rajakumar
107. A combined experimental and computational investigation on the OH radical and Cl atom-initiated reaction of 2,3-dichloropropene in troposphere
Vol. 362, PP.142566, Chemosphere
by G. S. Madhu and B. Rajakumar
106. Experimental and theoretical study of Criegee intermediate (CH2OO) reactions with n-butyraldehyde and isobutyraldehyde: kinetics, implications and atmospheric fate
Vol. 26, PP.6872-6884, Phys. Chem. Chem. Phys
by A. Debnath and B. Rajakumar
105. Laser induced fluorescence and computational studies on the tropospheric photooxidation reactions of methyl secondary butyl ether initiated by OH radicals
Vol. 30, PP.99748–99761, Environ. Sci. Pollut. Res. Int.
by P. Madugula & B. Rajakumar.
104. Cl atoms-initiated degradation of 1-Chlorobutane and 2-Chlorobutane: Kinetics, product analysis and atmospheric implications
Vol. 339, PP.139664, Chemosphere
by B. Kar & B. Rajakumar.
103. An experimental and theoretical kinetic modeling study of the thermal decomposition of methyl-2-methyl butanoate behind shock waves
Vol. 254, PP.112835, Combustion and Flame
by S. Nayak & B. Rajakumar.
102. Photo-oxidation Reaction of Tert-butyl Chloride with OH Radicals and Cl Atoms in the Troposphere and its Implications
Vol. 25(11), PP.7901-7916, Phys. Chem. Chem. Phys.
by F. Joy & B. Rajakumar.
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.
100. Investigation of kinetics and mechanistic insights of the reaction of criegee intermediate (CH2OO) with methyl-ethyl ketone (MEK) under tropospherically relevant conditions
Vol. 312, PP.312137217, Chemosphere
by A. Debnath & 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.
98. Experimental and Theoretical Investigation of Reactions of Formyl (HCO) Radicals in the Gas Phase: (I) Kinetics of HCO Radicals with Ethyl Formate and Ethyl Acetate in Tropospherically Relevant Conditions.
Vol. 126(36), PP.6135–6147, J. Phys. Chem
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.
95. A Combined Experimental and Theoretical Study to Determine the Kinetics of 2-Ethoxy Ethanol with OH Radicals in the Gas Phase
Vol. 125(40), PP.8869-8881., Phys. Chem
by A. Kumar, K. Mondal & B. Rajakumar.
94. Theoretical Investigations on the OH Radical Mediated Kinetics of Cis- and Trans- CH3CF=CHF and CH3CH=CF2 over Temperature Range of 200-400K
Vol. 250, PP.109884, J. Fluorine Chem
by P. Gupta, F. Jabeen & B. Rajakumar.
93. Kinetics for the Photo-chemical Degradation of Methyl Butyrate in Presence of Cl atoms and OH radicals
Vol. 78, PP.219-238, Atmos. Chem
by C. B. Ramya & B. Rajakumar
92. Investigation of Kinetics of Phenyl Radicals with Ethyl Formate in the Gas Phase Using Cavity Ring-Down Spectroscopy and Theoretical Methodologies
Vol. 20(7), PP.859-873., Photochem. Photobiol. Sci
by K. Mondal & 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
90. Absorption Cross-Section Measurements of Ortho-xylyl Radical in the 460.1-475.1 nm Region and Investigation of its Temperature and Pressure Dependence Using Cavity Ringdown Spectroscopy
Vol. 765, PP.138314, Chem. Phys. Lett
by P. K. Bej, K. Mondal & B. Rajakumar
89. Experimental and Computational Investigations on the Tropospheric Photo-oxidation Reactions of 1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol Initiated by OH radicals and Cl atoms
Vol. 125(2), PP.523-535., Phys. Chem
by A. Kumar, S. Gonu, S. Vijayakumar, C. B. Ramya & B. Rajakumar. J.
88. Temperature-dependent Kinetic Study of the Photo-oxidation Reaction of Vinyl Butyrate with Cl atoms and Fate of the Formation of Alkoxy Radicals
Vol. 771, PP.138500, Chem. Phys. Lett
by R. Kaipara, A. Kumar, P. Gupta & B. Rajakumar.
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.
84. Kinetic Studies on the Photo-oxidation Reactions of Methyl 2-methyl butanoate and Methyl-3-methyl butanoate with OH radicals
Vol. 124(52), PP.10923-10936., J. Phys. Chem
by R. Kaipara & B. Rajakumar.
83. Kinetics, thermochemistry and atmospheric implications for the reaction of OH radicals with CH3CF=CF2 (HFO-1243yc)
Vol. 758, PP.137933., Chem. Phys. Lett.
by F. Jabeen, A. Kumar & B. Rajakumar
82. Reaction of phenyl radicals towards propionaldehyde and butyraldehyde over the temperature range of 200-2000 K
Vol. 758, PP.137915., Chem. Phys. Lett
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
80. Temperature-dependent kinetics on the reactions of Methyl-2-methyl propionate and Methyl -2-methyl butanoate with Cl atoms under tropospheric conditions
Vol. 4(8), PP.1448-1460., ACS Earth Space Chem
by R. Kaipara & B. Rajakumar
79. Kinetic Investigations on the Reaction of Phenyl Radicals with Ethyl Acetate in the Gas Phase: An Experimental and Computational Study
Vol. 124 (27), PP.5503-5512., J. Phys. Chem
by K. Mondal & 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.
77. Tropospheric Photo-Oxidation of Ethyl Methacrylate Initiated by Cl Atoms in the Gas Phase: Kinetic and Mechanistic Investigations
Vol. 4 (6), PP.831-842., ACS Earth Space Chem
by A. Kumar & B. Rajakumar
76. Dissociative Nature of C(sp2)-N(sp3) bonds of Carbazole Based Materials via Conical Intersection: Simple Method to Predict the Exciton Stability of Host Materials for blue OLEDs: A Computational Study.
Vol. 22, PP.7995-8005., Phys. Chem. Chem. Phys
by J. Vijaya Sundar & B. Rajakumar.
75. Photo-Oxidation Reactions of Ethyl 2-Methyl Propionate (E2MP) and Ethyl-2,2- Dimethyl Propionate (E22DMP) Initiated by OH Radicals: An Experimental and Computational Study.
Vol. 124 (14), PP.2768-2784., J. Phys. Chem
by R. Kaipara & 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
73. Cl-Initiated Photo-Oxidation Studies of Methyl Valerate and Methyl Isovalerate under Tropospheric Relevant Conditions
Vol. 124 (13), PP.2515-2529, J. Phys. Chem
by R. Kaipara & B. Rajakumar.
72. Kinetic and Mechanistic Investigation for the Gas Phase Tropospheric Photo-Oxidation Reactions of 2,2,2-Trifluoroethyl Acrylate with OH Radicals and Cl Atoms
Vol. 124 (12), PP.2335-2351., J. Phys. Chem
by A. Kumar & B. Rajakumar.
71. Cl Atom Initiated Photo-Oxidation Reactions of Vinyl Trifluoroacetate and Allyl Trifluoroacetate in the Tropospheric Conditions
Vol. 124 (11), PP.2123-2139., J. Phys. Chem
by R. Kaipara & 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
69. Oxidative degradation kinetics and mechanism of two biodiesel constituents ((Ethyl-2-methyl propionate (E2MP) and ethyl-2,2-dimethyl propionate (E22DMP)) initiated by Cl atoms
Vol. 4, PP.142-156., ACS Earth Space Chem
by R. Kaipara and B. Rajakumar.
68. Cl Atom and OH Radical Initiated Kinetic and Mechanistic Study on the Degradation of Propyl Butanoate under Tropospheric Conditions
Vol. 123, PP.10976-10989., J. Phys. Chem.
by P. Gupta and B. Rajakumar
67. Kinetics and Mechanistic Study for Gas Phase Tropospheric Photo-Oxidation Reactions of 2,2,2-Trifluoroethyl Methacrylate With OH Radicals and Cl Atoms: An Experimental and Computational Approach
Vol. 123, PP.10868-10884., Phys. Chem
by A. Kumar & B. Rajakuma
66. Gas Phase Kinetics and Mechanistic Insights for the Reactions of Cl atoms with Isopropyl Formate and Isobutyl Formate
Vol. 123, PP.9978-9994, J. Phys. Chem
by A. Kumar and B. Rajakumar,
65. Investigation of the Absorption Cross-Section of Phenyl Radical and Its Kinetics With Methanol in the Gas Phase Using Cavity Ring-Down Spectroscopy and Theoretical Methodologies
Vol. 123(45), PP.9682-9692., J. Phys. Chem
by K. Mondal, R. Kaipara and B. Rajakumar.
64. Cl Atom Initiated Atmospheric Degradation of Saturated Cyclic Hydrocarbons – Kinetic and Mechanistic Investigation
Vol. 123, 34, PP.7361-73., J. Phys. Chem.
by R. C. Balan & B. Rajakumar.
63. Cl atom initiated tropospheric chemistry of ethyl butyrate.
Vol. 731, PP.136594, Chem. Phys
by R. C. Balan & B. Rajakumar
62. Photo Oxidation Reaction Kinetics and Mechanistics of 4-Hydroxy-2-Butanone with Cl Atoms and OH Radicals in the Gas Phase
Vol. 123, PP.4342-53., J. Phys. Chem
by R. C. Balan & B. Rajakumar.
61. A theoretical insight on the kinetics for the reaction of (E)-/(Z)-CHF=CF(CF2)x=1,2CF3 with OH radicals under tropospheric conditions.
Vol. 222-223, PP.31-45., J. Fluorine Chem
by P. Gupta & B. Rajakumar.
60. A dual level direct dynamics study for the reaction of CF2=CHCF3 (HFC-1225zc) and CF2=CHCF2CF3 (HFC-1327cz) towards OH radicals.
Vol. 4, PP.4827- 4838., Chemistry
by P. Gupta & B. Rajakumar.
59. Experimental and theoretical investigations on the photo-oxidation reaction of OH radicals with 2, 3-dimethyl-1, 3-butadiene in gas phase
Vol. 58B, PP.209-218., Indian J. Chem.
by S. Vijayakumar & B. Rajakumar.
58. Cl Atom Initiated Photo-oxidation of Mono-chlorinated Propanes To Form Carbonyl Compounds: A Kinetic and Mechanistic Approach
Vol. 4, PP.723-74, J. Phys. Chem.
by A. Kumar and 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
54. Temperature-Dependent Kinetics of the Reaction of a Criegee Intermediate with Propionaldehyde: A Computational Investigation.
Vol. 122, PP.8433-8445., J. Phys. Chem
by R. Kaipara & 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
52. Kinetic investigations on the gas phase reaction of 2,2,2-trifluoroethylbutyrate with OH radicals: An experimental and theoretical study.
Vol. 3, PP.4480-4489., Chemistry
by G. Srinivasulu, S. Vijayakumar & B. Rajakumar.
51. Kinetic investigations on the chlorine atom sensitized photo-oxidization reactions with a series of 1-alkenes in troposphere.
Vol. 25, PP.4387-4405., Environ. Sci. Pollut
by S. Vijayakumar & 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
47. An Experimental and Computational Study on the Cl Atom Initiated Photo-Oxidization Reactions of Butenes in the Gas Phase.
Vol. 121, PP.5487–99., Phys. Chem
by S. Vijayakumar & B. Rajakumar
46. Kinetic investigations of Cl atoms initiated photo oxidation reactions of cyclic unsaturated hydrocarbons in the gas phase: an experimental and theoretical study.
Vol. 41, PP.7491 – 7505., New Journal of Chemistry
by S. Vijayakumar, C. B. Ramya, A. Kumar & B. Rajakumar.
45. Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500 K: A DFT study.
Vol. 491, PP.82-94., Chemical Physics
by A. Parandaman & B. Rajakumar
44. Experimental and theoretical investigations on the reaction of 1,3-butadiene with Cl atom in the gas phase.
Vol. 121, PP.1976−84, Phys. Chem
by S. Vijayakumar & B. Rajakumar
43. 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.
Vol. 6, PP.67739-50, Soc. Chem
by S. Vijayakumar & B. Rajakumar. R.
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
37. Kinetics of the thermal decomposition of tetramethylsilane behind the reflected shock waves between 1058 and 1194 K.
Vol. 128, PP.573-588, J. Chem. Sci
by A. Parandaman & B. Rajakumar
36. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde (C10H16O2) with Cl atoms between 200 and 400 K: A DFT study.
Vol. 128, PP.977-989., J. Chem. Sci
by G. Srinivasulu & B. Rajakumar
35. 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.”
Vol. 126(4), PP.897-909, J. Chem. Sci
by G. Sudhakar, 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
32. Mechanism, kinetics and atmospheric fate of CF3CHCH2, CF3CFCH2, and CF3CFCF2 by its reaction with OH-radicals: CVT/SCT/ISPE and hybrid meta-DFT methods.
Vol. 48, PP.60-69, Journal of Molecular Graphics and Modelling
by Balaganesh, M., Rajakumar
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
29. Experimental and theoretical rate coefficients for the gas phase reaction of beta-Pinene with OH radical”.
Vol. 79, PP.161-171, B. Atmos. Environ
by Dash, M.R., Rajakumar
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.
27. Gas Phase Kinetics of 2,2,2-trifluoroethylbutyrate with Cl Atom: An Experimental and Theoretical Study.
Vol. 119, PP.9294-9306., Phys. Chem.
by G. Srinivasulu & B. Rajakumar
26. Kinetic parameters for the reaction of OH radical with cis-CHF=CHCHF2, trans-CHF=CHCHF2, CF2=CHCHF2 and CF2=C=CHF: Hybrid meta DFT and CVT/SCT/ISPE calculations.
Vol. 178, PP.266-278., J. Fluorine Chem.
by C. Ramanjaneyulu & B. Rajakumar
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.
24. Abstraction Kinetics of H-Atom by OH Radical from Pinonaldehyde: Ab Initio and Transition-State Theory Calculations.
Vol. 116, PP.5856-5866, J. Phys. Chem. A
by Manas Ranjan Dash and 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.
22. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods.
Vol. 17, 5, PP.3142-3156., Phys. Chem. Chem. Phys.
by M.R. Dash & B. Rajakumar
21. Kinetic parameters for the reaction of OH radical initiated atmospheric oxidation of (E)-2-pentenal: Ab initio and transition state theory calculations.
Vol. 102, PP.460-469, Current Science
by Upendra, B., Lakshmi Prasanna, D.S., 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.
18. Rate Coefficients and Reaction Mechanism for the Reaction of OH Radicals with (E)-CF3CH═CHF, (Z)-CF3CH═CHF, (E)-CF3CF═CHF, and (Z)-CF3CF═CHF between 200 and 400 K: Hybrid Density Functional Theory and Canonical Variational Transition State Theory Calculations.
Vol. 40, PP.9835-42, J. Phys. Chem. A
by Balaganesh M., Rajakumar B
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
15. Rate coefficients for the Reaction of OH with CF3CH2CH3 (HFC-263fb) between 200 and 400K: ab initio, DFT and Transitions State Theory Calculations.
Vol. 31, PP.500-509., Comp. Chem.
by Mohamad Akbar Ali, B. Rajakumar. J.
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
13. 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
Vol. 511(4-6), PP.440-446, B. Chem. Phys. Lett
by Ali, M. A., Upendra, B., Rajakumar
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
4. Ab initio, DFT and transition state theory calculations on 1, 2-HF, HCI and CIF elimination reactions from CH2FCH2Cl.
Vol. 5, PP.3897-3904., Phys. Chem. Chem. Phys
by B. Rajakumar, E. Arunan.
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.
4. An experimental and theoretical study of photo-oxidation reaction of 2-methyl tetrahydrofuran with Cl atom under atmospheric conditions
Vol.31, PP.51473–51488 Environ. Sci. Pollut. Res. Int.
by S. Nayak and B. Rajakumar
3. OH radical and Cl atom initiated Reactions of Methyl n-propyl ether: Kinetics and Atmospheric Implications
Vol.336, PP.120717 Atmos. Environ.
by B. Kar and B. Rajakumar
2. High-Temperature Pyrolysis Study of 2-Methyl-2-butanol behind Reflected Shock Wave: Shock Tube and Computational Study
Vol. 128, PP.5691–5706 J. Phys. Chem. A
by S. Nayak and B. Rajakumar
1. A combined experimental and computational investigation on the OH radical and Cl atom-initiated reaction of 2,3-dichloropropene in troposphere
Vol.362, PP.142566 Chemosphere
by G. S. Madhu and B. Rajakumar
7. Laser induced fluorescence and computational studies on the tropospheric photooxidation reactions of methyl secondary butyl ether initiated by OH radicals
Vol.30, PP.99748–99761 Environ. Sci. Pollut. Res. Int.
by P. Madugula & B. Rajakumar.
6. Cl atoms-initiated degradation of 1-Chlorobutane and 2-Chlorobutane: Kinetics, product analysis and atmospheric implications
Vol.339, PP.139664 Chemosphere
by B. Kar & B. Rajakumar.
5. An experimental and theoretical kinetic modeling study of the thermal decomposition of methyl-2-methyl butanoate behind shock waves
Vol.254, PP.112835 Combustion and Flame
by S. Nayak & B. Rajakumar.
4. Photo-oxidation Reaction of Tert-butyl Chloride with OH Radicals and Cl Atoms in the Troposphere and its Implications
Vol.25(11), PP.7901-7916 Phys. Chem. Chem. Phys.
by F. Joy & B. Rajakumar.
3. 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.
2. Investigation of kinetics and mechanistic insights of the reaction of criegee intermediate (CH2OO) with methyl-ethyl ketone (MEK) under tropospherically relevant conditions
Vol.312, PP.312137217 Chemosphere
by A. Debnath & B. Rajakumar.
1. 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.
2. Experimental and Theoretical Investigation of Reactions of Formyl (HCO) Radicals in the Gas Phase: (I) Kinetics of HCO Radicals with Ethyl Formate and Ethyl Acetate in Tropospherically Relevant Conditions.
Vol.126(36), PP.6135–6147 J. Phys. Chem
by K. Mondal & B. Rajakumar
1. 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
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.
11. A Combined Experimental and Theoretical Study to Determine the Kinetics of 2-Ethoxy Ethanol with OH Radicals in the Gas Phase
Vol.125(40), PP.8869-8881. Phys. Chem
by A. Kumar, K. Mondal & B. Rajakumar.
10. Theoretical Investigations on the OH Radical Mediated Kinetics of Cis- and Trans- CH3CF=CHF and CH3CH=CF2 over Temperature Range of 200-400K
Vol.250, PP.109884 J. Fluorine Chem
by P. Gupta, F. Jabeen & B. Rajakumar.
9. Kinetics for the Photo-chemical Degradation of Methyl Butyrate in Presence of Cl atoms and OH radicals
Vol.78, PP.219-238 Atmos. Chem
by C. B. Ramya & B. Rajakumar
8. Investigation of Kinetics of Phenyl Radicals with Ethyl Formate in the Gas Phase Using Cavity Ring-Down Spectroscopy and Theoretical Methodologies
Vol.20(7), PP.859-873. Photochem. Photobiol. Sci
by K. Mondal & 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
6. Absorption Cross-Section Measurements of Ortho-xylyl Radical in the 460.1-475.1 nm Region and Investigation of its Temperature and Pressure Dependence Using Cavity Ringdown Spectroscopy
Vol.765, PP.138314 Chem. Phys. Lett
by P. K. Bej, K. Mondal & B. Rajakumar
5. Experimental and Computational Investigations on the Tropospheric Photo-oxidation Reactions of 1,1,1,3,3,3-hexafluoro-2-methyl-2-propanol Initiated by OH radicals and Cl atoms
Vol.125(2), PP.523-535. Phys. Chem
by A. Kumar, S. Gonu, S. Vijayakumar, C. B. Ramya & B. Rajakumar. J.
4. Temperature-dependent Kinetic Study of the Photo-oxidation Reaction of Vinyl Butyrate with Cl atoms and Fate of the Formation of Alkoxy Radicals
Vol.771, PP.138500 Chem. Phys. Lett
by R. Kaipara, A. Kumar, P. Gupta & B. Rajakumar.
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.
54. Kinetic Studies on the Photo-oxidation Reactions of Methyl 2-methyl butanoate and Methyl-3-methyl butanoate with OH radicals
Vol.124(52), PP.10923-10936. J. Phys. Chem
by R. Kaipara & B. Rajakumar.
53. Kinetics, thermochemistry and atmospheric implications for the reaction of OH radicals with CH3CF=CF2 (HFO-1243yc)
Vol.758, PP.137933. Chem. Phys. Lett.
by F. Jabeen, A. Kumar & B. Rajakumar
52. Reaction of phenyl radicals towards propionaldehyde and butyraldehyde over the temperature range of 200-2000 K
Vol.758, PP.137915. Chem. Phys. Lett
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
50. Temperature-dependent kinetics on the reactions of Methyl-2-methyl propionate and Methyl -2-methyl butanoate with Cl atoms under tropospheric conditions
Vol.4(8), PP.1448-1460. ACS Earth Space Chem
by R. Kaipara & B. Rajakumar
49. Kinetic Investigations on the Reaction of Phenyl Radicals with Ethyl Acetate in the Gas Phase: An Experimental and Computational Study
Vol. 124 (27), PP.5503-5512. J. Phys. Chem
by K. Mondal & 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.
47. Tropospheric Photo-Oxidation of Ethyl Methacrylate Initiated by Cl Atoms in the Gas Phase: Kinetic and Mechanistic Investigations
Vol.4 (6), PP.831-842. ACS Earth Space Chem
by A. Kumar & B. Rajakumar
46. Dissociative Nature of C(sp2)-N(sp3) bonds of Carbazole Based Materials via Conical Intersection: Simple Method to Predict the Exciton Stability of Host Materials for blue OLEDs: A Computational Study.
Vol.22, PP.7995-8005. Phys. Chem. Chem. Phys
by J. Vijaya Sundar & B. Rajakumar.
45. Photo-Oxidation Reactions of Ethyl 2-Methyl Propionate (E2MP) and Ethyl-2,2- Dimethyl Propionate (E22DMP) Initiated by OH Radicals: An Experimental and Computational Study.
Vol.124 (14), PP.2768-2784. J. Phys. Chem
by R. Kaipara & 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
43. Cl-Initiated Photo-Oxidation Studies of Methyl Valerate and Methyl Isovalerate under Tropospheric Relevant Conditions
Vol.124 (13), PP.2515-2529 J. Phys. Chem
by R. Kaipara & B. Rajakumar.
42. Kinetic and Mechanistic Investigation for the Gas Phase Tropospheric Photo-Oxidation Reactions of 2,2,2-Trifluoroethyl Acrylate with OH Radicals and Cl Atoms
Vol.124 (12), PP.2335-2351. J. Phys. Chem
by A. Kumar & B. Rajakumar.
41. Cl Atom Initiated Photo-Oxidation Reactions of Vinyl Trifluoroacetate and Allyl Trifluoroacetate in the Tropospheric Conditions
Vol.124 (11), PP.2123-2139. J. Phys. Chem
by R. Kaipara & B. Rajakumar.
40. 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
39. Oxidative degradation kinetics and mechanism of two biodiesel constituents ((Ethyl-2-methyl propionate (E2MP) and ethyl-2,2-dimethyl propionate (E22DMP)) initiated by Cl atoms
Vol.4, PP.142-156. ACS Earth Space Chem
by R. Kaipara and B. Rajakumar.
38. Cl Atom and OH Radical Initiated Kinetic and Mechanistic Study on the Degradation of Propyl Butanoate under Tropospheric Conditions
Vol.123, PP.10976-10989. J. Phys. Chem.
by P. Gupta and B. Rajakumar
37. Kinetics and Mechanistic Study for Gas Phase Tropospheric Photo-Oxidation Reactions of 2,2,2-Trifluoroethyl Methacrylate With OH Radicals and Cl Atoms: An Experimental and Computational Approach
Vol.123, PP.10868-10884. Phys. Chem
by A. Kumar & B. Rajakuma
36. Gas Phase Kinetics and Mechanistic Insights for the Reactions of Cl atoms with Isopropyl Formate and Isobutyl Formate
Vol.123, PP.9978-9994 J. Phys. Chem
by A. Kumar and B. Rajakumar,
35. Investigation of the Absorption Cross-Section of Phenyl Radical and Its Kinetics With Methanol in the Gas Phase Using Cavity Ring-Down Spectroscopy and Theoretical Methodologies
Vol.123(45), PP.9682-9692. J. Phys. Chem
by K. Mondal, R. Kaipara and B. Rajakumar.
34. Cl Atom Initiated Atmospheric Degradation of Saturated Cyclic Hydrocarbons – Kinetic and Mechanistic Investigation
Vol.123, 34, PP.7361-73. J. Phys. Chem.
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
32. Photo Oxidation Reaction Kinetics and Mechanistics of 4-Hydroxy-2-Butanone with Cl Atoms and OH Radicals in the Gas Phase
Vol.123, PP.4342-53. J. Phys. Chem
by R. C. Balan & B. Rajakumar.
31. A theoretical insight on the kinetics for the reaction of (E)-/(Z)-CHF=CF(CF2)x=1,2CF3 with OH radicals under tropospheric conditions.
Vol.222-223, PP.31-45. J. Fluorine Chem
by P. Gupta & B. Rajakumar.
30. A dual level direct dynamics study for the reaction of CF2=CHCF3 (HFC-1225zc) and CF2=CHCF2CF3 (HFC-1327cz) towards OH radicals.
Vol.4, PP.4827- 4838. Chemistry
by P. Gupta & B. Rajakumar.
29. Experimental and theoretical investigations on the photo-oxidation reaction of OH radicals with 2, 3-dimethyl-1, 3-butadiene in gas phase
Vol.58B, PP.209-218. Indian J. Chem.
by S. Vijayakumar & B. Rajakumar.
28. Cl Atom Initiated Photo-oxidation of Mono-chlorinated Propanes To Form Carbonyl Compounds: A Kinetic and Mechanistic Approach
Vol.4, PP.723-74 J. Phys. Chem.
by A. Kumar and 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.
26. 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
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
24. Temperature-Dependent Kinetics of the Reaction of a Criegee Intermediate with Propionaldehyde: A Computational Investigation.
Vol.122, PP.8433-8445. J. Phys. Chem
by R. Kaipara & 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
22. Kinetic investigations on the gas phase reaction of 2,2,2-trifluoroethylbutyrate with OH radicals: An experimental and theoretical study.
Vol.3, PP.4480-4489. Chemistry
by G. Srinivasulu, S. Vijayakumar & B. Rajakumar.
21. Kinetic investigations on the chlorine atom sensitized photo-oxidization reactions with a series of 1-alkenes in troposphere.
Vol.25, PP.4387-4405. Environ. Sci. Pollut
by S. Vijayakumar & 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
17. An Experimental and Computational Study on the Cl Atom Initiated Photo-Oxidization Reactions of Butenes in the Gas Phase.
Vol.121, PP.5487–99. Phys. Chem
by S. Vijayakumar & B. Rajakumar
16. Kinetic investigations of Cl atoms initiated photo oxidation reactions of cyclic unsaturated hydrocarbons in the gas phase: an experimental and theoretical study.
Vol.41, PP.7491 – 7505. New Journal of Chemistry
by S. Vijayakumar, C. B. Ramya, A. Kumar & B. Rajakumar.
15. Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500 K: A DFT study.
Vol.491, PP.82-94. Chemical Physics
by A. Parandaman & B. Rajakumar
14. Experimental and theoretical investigations on the reaction of 1,3-butadiene with Cl atom in the gas phase.
Vol.121, PP.1976−84 Phys. Chem
by S. Vijayakumar & B. Rajakumar
13. 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.
Vol.6, PP.67739-50 Soc. Chem
by S. Vijayakumar & B. Rajakumar. R.
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.
10. Kinetics of the thermal decomposition of tetramethylsilane behind the reflected shock waves between 1058 and 1194 K.
Vol.128, PP.573-588 J. Chem. Sci
by A. Parandaman & B. Rajakumar
9. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde (C10H16O2) with Cl atoms between 200 and 400 K: A DFT study.
Vol.128, PP.977-989. J. Chem. Sci
by G. Srinivasulu & B. Rajakumar
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.
5. Gas Phase Kinetics of 2,2,2-trifluoroethylbutyrate with Cl Atom: An Experimental and Theoretical Study.
Vol.119, PP.9294-9306. Phys. Chem.
by G. Srinivasulu & B. Rajakumar
4. Kinetic parameters for the reaction of OH radical with cis-CHF=CHCHF2, trans-CHF=CHCHF2, CF2=CHCHF2 and CF2=C=CHF: Hybrid meta DFT and CVT/SCT/ISPE calculations.
Vol.178, PP.266-278. J. Fluorine Chem.
by C. Ramanjaneyulu & B. Rajakumar
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.
1. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods.
Vol.17, 5, PP.3142-3156. Phys. Chem. Chem. Phys.
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
12. 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.”
Vol.126(4), PP.897-909 J. Chem. Sci
by G. Sudhakar, 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
10. Mechanism, kinetics and atmospheric fate of CF3CHCH2, CF3CFCH2, and CF3CFCF2 by its reaction with OH-radicals: CVT/SCT/ISPE and hybrid meta-DFT methods.
Vol.48, PP.60-69 Journal of Molecular Graphics and Modelling
by Balaganesh, M., 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
8. Experimental and theoretical rate coefficients for the gas phase reaction of beta-Pinene with OH radical”.
Vol.79, PP.161-171 B. Atmos. Environ
by Dash, M.R., Rajakumar
7. Abstraction Kinetics of H-Atom by OH Radical from Pinonaldehyde: Ab Initio and Transition-State Theory Calculations.
Vol.116, PP.5856-5866 J. Phys. Chem. A
by Manas Ranjan Dash and B. Rajakumar
6. Kinetic parameters for the reaction of OH radical initiated atmospheric oxidation of (E)-2-pentenal: Ab initio and transition state theory calculations.
Vol.102, PP.460-469 Current Science
by Upendra, B., Lakshmi Prasanna, D.S., Rajakumar
5. Rate Coefficients and Reaction Mechanism for the Reaction of OH Radicals with (E)-CF3CH═CHF, (Z)-CF3CH═CHF, (E)-CF3CF═CHF, and (Z)-CF3CF═CHF between 200 and 400 K: Hybrid Density Functional Theory and Canonical Variational Transition State Theory Calculations.
Vol. 40, PP.9835-42 J. Phys. Chem. A
by Balaganesh M., 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
3. 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
Vol.511(4-6), PP.440-446 B. Chem. Phys. Lett
by Ali, M. A., Upendra, 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
8. Rate coefficients for the Reaction of OH with CF3CH2CH3 (HFC-263fb) between 200 and 400K: ab initio, DFT and Transitions State Theory Calculations.
Vol.31, PP.500-509. Comp. Chem.
by Mohamad Akbar Ali, B. Rajakumar. J.
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
4. Ab initio, DFT and transition state theory calculations on 1, 2-HF, HCI and CIF elimination reactions from CH2FCH2Cl.
Vol.5, PP.3897-3904. Phys. Chem. Chem. Phys
by B. Rajakumar, E. Arunan.
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.