B Rajakumar - Publications

Affiliations: 
Chemistry Indian Institute of Technology - Madras, Chennai, Tamil Nadu, India 

78 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Kar B, Rajakumar B. Cl atoms-initiated degradation of 1-Chlorobutane and 2-Chlorobutane: Kinetics, product analysis and atmospheric implications. Chemosphere. 339: 139664. PMID 37506889 DOI: 10.1016/j.chemosphere.2023.139664  0.592
2023 Joy F, Rajakumar B. Photo-oxidation reaction of -butyl chloride with OH radicals and Cl atoms in the troposphere and its implications. Physical Chemistry Chemical Physics : Pccp. PMID 36861338 DOI: 10.1039/d2cp03503k  0.507
2022 Debnath A, Rajakumar B. Investigation of kinetics and mechanistic insights of the reaction of criegee intermediate (CHOO) with methyl-ethyl ketone (MEK) under tropospherically relevant conditions. Chemosphere. 137217. PMID 36370759 DOI: 10.1016/j.chemosphere.2022.137217  0.584
2022 Mondal K, Rajakumar B. Kinetics of IO radicals with C1, C2 aliphatic alcohols in tropospherically relevant conditions. Environmental Science and Pollution Research International. PMID 36303003 DOI: 10.1007/s11356-022-23494-8  0.486
2022 Mondal K, Rajakumar B. 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. The Journal of Physical Chemistry. A. 126: 6135-6147. PMID 36054843 DOI: 10.1021/acs.jpca.2c04538  0.58
2021 Mondal K, Kumar A, Rajakumar B. Kinetics of IO radicals with ethyl formate and ethyl acetate: a study using cavity ring-down spectroscopy and theoretical methods. Physical Chemistry Chemical Physics : Pccp. 23: 25974-25993. PMID 34783802 DOI: 10.1039/d1cp02615a  0.561
2021 Kumar A, Mondal K, Rajakumar B. A Combined Experimental and Theoretical Study to Determine the Kinetics of 2-Ethoxy Ethanol with OH Radical in the Gas Phase. The Journal of Physical Chemistry. A. 125: 8869-8881. PMID 34587445 DOI: 10.1021/acs.jpca.1c06590  0.526
2021 Rajakumar B, Arathala P, Muthiah B. Thermal Decomposition of 2-Methyltetrahydrofuran behind Reflected Shock Waves over the Temperature Range of 1179-1361 K. The Journal of Physical Chemistry. A. PMID 34128665 DOI: 10.1021/acs.jpca.0c11490  0.526
2021 Kumar A, Gonu S, Vijayakumar S, Ramya CB, Rajakumar B. Experimental and Computational Investigations of the Tropospheric Photooxidation Reactions of 1,1,1,3,3,3-Hexafluoro-2-Methyl-2-Propanol Initiated by OH Radicals and Cl Atoms. The Journal of Physical Chemistry. A. PMID 33405922 DOI: 10.1021/acs.jpca.0c08130  0.581
2020 Kaipara R, Rajakumar B. Kinetic Studies on the Photo-oxidation Reactions of Methyl-2-methyl Butanoate and Methyl-3-methyl Butanoate with OH Radicals. The Journal of Physical Chemistry. A. 124: 10923-10936. PMID 33346649 DOI: 10.1021/acs.jpca.0c07715  0.425
2020 Mondal K, Rajakumar B. Kinetic Investigations on the Reaction of Phenyl Radicals with Ethyl Acetate in the Gas Phase: An Experimental and Computational Study. The Journal of Physical Chemistry. A. PMID 32539397 DOI: 10.1021/Acs.Jpca.0C03872  0.651
2020 Kaipara R, Rajakumar B. Photooxidation Reactions of Ethyl 2-Methylpropionate (E2MP) and Ethyl 2,2-Dimethylpropionate (E22DMP) Initiated by OH Radicals: An Experimental and Computational Study. Journal of Physical Chemistry A. 124: 2768-2784. PMID 32207979 DOI: 10.1021/Acs.Jpca.0C00903  0.468
2020 Kaipara R, Rajakumar B. Cl-Initiated Photo-oxidation Studies of Methyl Valerate and Methyl Isovalerate under Tropospherically Relevant Conditions Journal of Physical Chemistry A. 124: 2515-2529. PMID 32164412 DOI: 10.1021/Acs.Jpca.9B10740  0.408
2020 Kumar A, Rajakumar B. Kinetic and Mechanistic Investigation for the Gas Phase Tropospheric Photo-Oxidation Reactions of 2,2,2-Trifluoroethyl Acrylate with OH Radicals and Cl Atoms. The Journal of Physical Chemistry. A. PMID 32146806 DOI: 10.1021/Acs.Jpca.9B10009  0.669
2020 Kaipara R, Rajakumar B. Cl Atom-Initiated Photo-Oxidation Reactions of Vinyl Trifluoroacetate and Allyl Trifluoroacetate in Tropospheric Conditions. Journal of Physical Chemistry A. 124: 2123-2139. PMID 32096636 DOI: 10.1021/Acs.Jpca.9B11166  0.674
2020 Jabeen F, Kumar A, Rajakumar B. Kinetics, thermochemistry and atmospheric implications for the reaction of OH radicals with CH3CF = CF2 (HFO-1243yc) Chemical Physics Letters. 758: 137933. DOI: 10.1016/J.Cplett.2020.137933  0.628
2020 Gupta P, Rajakumar B. Reaction of phenyl radicals towards propionaldehyde and butyraldehyde over the temperature range of 200–2000 K Chemical Physics Letters. 758: 137915. DOI: 10.1016/J.Cplett.2020.137915  0.608
2020 Kuzhanthaivelan S, Rajakumar B. Theoretical investigations on the kinetics of dimethoxymethane with peroxy radicals Chemical Physics Letters. 756: 137846. DOI: 10.1016/J.Cplett.2020.137846  0.587
2020 Ramya CB, Rajakumar B. Tropospheric chemistry of ethyl tiglate initiated by Cl atoms Chemical Physics Letters. 748: 137371. DOI: 10.1016/J.Cplett.2020.137371  0.543
2020 Gupta P, Rajakumar B. Reaction kinetics of CH2OO with 1,3-butadiene: Mechanistic investigation with RRKM calculations Chemical Physics Letters. 742: 137157. DOI: 10.1016/J.Cplett.2020.137157  0.527
2020 Gupta P, Rajakumar B. Reaction kinetics of a series of alkanes with ClO and BrO radicals: A theoretical study International Journal of Chemical Kinetics. DOI: 10.1002/Kin.21433  0.44
2019 Gupta P, Rajakumar B. Cl Atom and OH Radical Initiated Kinetic and Mechanistic Study on the Degradation of Propyl Butanoate under Tropospheric Conditions. The Journal of Physical Chemistry. A. PMID 31789521 DOI: 10.1021/Acs.Jpca.9B09546  0.592
2019 Kumar A, Rajakumar B. 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. The Journal of Physical Chemistry. A. PMID 31766849 DOI: 10.1021/Acs.Jpca.9B08613  0.678
2019 Kumar A, Rajakumar B. Gas Phase Kinetics and Mechanistic Insights for the Reactions of Cl Atoms with Isopropyl Formate and Isobutyl Formate. The Journal of Physical Chemistry. A. PMID 31694375 DOI: 10.1021/Acs.Jpca.9B08410  0.657
2019 Mondal K, Kaipara R, Rajakumar B. 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. The Journal of Physical Chemistry. A. PMID 31638395 DOI: 10.1021/Acs.Jpca.9B09302  0.639
2019 Balan RC, Rajakumar B. Cl-Atom-Initiated Atmospheric Degradation of Saturated Cyclic Hydrocarbons: Kinetic and Mechanistic Investigation. Journal of Physical Chemistry A. 123: 7361-7373. PMID 31365258 DOI: 10.1021/Acs.Jpca.9B02225  0.521
2019 Cheramangalath Balan R, Rajakumar B. Photo Oxidation Reaction Kinetics and Mechanistics of 4-Hydroxy-2-Butanone with Cl Atoms and OH Radicals in the Gas Phase. The Journal of Physical Chemistry. A. PMID 31026164 DOI: 10.1021/Acs.Jpca.9B00995  0.658
2019 Kumar A, Rajakumar B. Cl Atom Initiated Photo-oxidation of Mono-chlorinated Propanes To Form Carbonyl Compounds: A Kinetic and Mechanistic Approach. Journal of Physical Chemistry A. 123: 723-741. PMID 30606010 DOI: 10.1021/Acs.Jpca.8B09132  0.53
2019 Gupta P, Rajakumar B. A theoretical insight on the kinetics for the reaction of (E)-/(Z)-CHF=CF(CF2)x=1,2CF3 with OH radicals under tropospheric conditions Journal of Fluorine Chemistry. 31-45. DOI: 10.1016/J.Jfluchem.2019.04.009  0.49
2019 Ramya CB, Rajakumar B. Cl atom initiated tropospheric chemistry of ethyl butyrate Chemical Physics Letters. 731: 136594. DOI: 10.1016/J.Cplett.2019.136594  0.484
2018 Vijaya Sundar J, Subramanian V, Rajakumar B. Excited state C-N bond dissociation and cyclization of tri-aryl amine-based OLED materials: a theoretical investigation. Physical Chemistry Chemical Physics : Pccp. PMID 30534719 DOI: 10.1039/C8Cp06314A  0.316
2018 Kaipara R, Rajakumar B. Temperature-Dependent Kinetics of the Reaction of a Criegee Intermediate with Propionaldehyde: A Computational Investigation. Journal of Physical Chemistry A. 122: 8433-8445. PMID 30281306 DOI: 10.1021/Acs.Jpca.8B06603  0.562
2018 Balan RC, Rajakumar B. Photo Oxidation Reaction Kinetics of Ethyl Propionate with Cl Atom and Formation of Propionic Acid Journal of Physical Chemistry A. 122: 8274-8285. PMID 30251856 DOI: 10.1021/Acs.Jpca.8B05215  0.597
2018 Kuzhanthaivelan S, Rajakumar B. Thermochemistry and Kinetic Studies on the Autoignition of 2-Butanone: A Computational Study Journal of Physical Chemistry A. 122: 6134-6146. PMID 29963867 DOI: 10.1021/Acs.Jpca.8B05167  0.439
2017 Vijayakumar S, Rajakumar B. Theoretical investigations on the kinetics of Cl atom initiated reactions of series of 1-alkenes. Environmental Science and Pollution Research International. PMID 29181759 DOI: 10.1007/s11356-017-0638-2  0.481
2017 Vijayakumar S, Rajakumar B. An Exprimental and Computational Study on the Cl Atom Initiated Photo-Oxidization Reactions of Butenes in the Gas Phase. The Journal of Physical Chemistry. A. PMID 28682612 DOI: 10.1021/Acs.Jpca.7B04783  0.663
2017 Vijayakumar S, Rajakumar B. Experimental and Theoretical Investigations on the Reaction of 1,3-Butadiene With Cl Atom in the Gas Phase. The Journal of Physical Chemistry. A. PMID 28186753 DOI: 10.1021/Acs.Jpca.6B12227  0.544
2017 Vijayakumar S, Kumar A, Rajakumar B. Experimental and computational kinetic investigations for the reactions of Cl atoms with unsaturated ketones in the gas phase New Journal of Chemistry. 41: 14299-14314. DOI: 10.1039/C7Nj03209A  0.635
2017 Vijayakumar S, Ramya CB, Kumar A, Rajakumar B. Kinetic investigations of Cl atom initiated photo-oxidation reactions of cyclic unsaturated hydrocarbons in the gas phase: an experimental and theoretical study New Journal of Chemistry. 41: 7491-7505. DOI: 10.1039/C7Nj01721A  0.62
2017 Parandaman A, Rajakumar B. Shock tube study and RRKM calculations on thermal decomposition of 2-chloroethyl methyl ether Combustion and Flame. 186: 263-276. DOI: 10.1016/J.Combustflame.2017.08.014  0.616
2017 Parandaman A, Rajakumar B. Addition and abstraction kinetics of H atom with propylene and isobutylene between 200 and 2500 K: A DFT study Chemical Physics. 491: 82-94. DOI: 10.1016/J.Chemphys.2017.05.008  0.587
2016 Parandaman A, Rajakumar B. Thermal Decomposition of 2-Pentanol: A Shock Tube Study and RRKM Calculations Journal of Physical Chemistry A. 120: 8024-8036. PMID 27658019 DOI: 10.1021/Acs.Jpca.6B06386  0.594
2016 Walavalkar MP, Vijayakumar S, Sharma A, Rajakumar B, Dhanya S. Is H Atom Abstraction Important in the Reaction of Cl with 1-Alkenes? The Journal of Physical Chemistry. A. PMID 27253670 DOI: 10.1021/Acs.Jpca.6B04667  0.473
2016 Vijayakumar S, Rajakumar B. 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 Rsc Advances. 6: 67739-67750. DOI: 10.1039/C6Ra11892E  0.668
2016 Srinivasulu G, Rajakumar B. Rate coefficients for hydrogen abstraction reaction of pinonaldehyde (C10H16O2) with Cl atoms between 200 and 400 K: A DFT study Journal of Chemical Sciences. 128: 977-989. DOI: 10.1007/S12039-016-1075-3  0.633
2016 Parandaman A, Rajakumar B. Kinetics of the thermal decomposition of tetramethylsilane behind the reflected shock waves between 1058 and 1194 K Journal of Chemical Sciences. 128: 573-588. DOI: 10.1007/S12039-016-1046-8  0.6
2015 Srinivasulu G, Rajakumar B. Gas Phase Kinetics of 2,2,2-Trifluoroethylbutyrate with the Cl Atom: An Experimental and Theoretical Study Journal of Physical Chemistry A. 119: 9294-9306. PMID 26270034 DOI: 10.1021/Acs.Jpca.5B03961  0.657
2015 Dash MR, Srinivasulu G, Rajakumar B. Experimental and computational investigation on the gas phase reaction of p-cymene with Cl atoms. The Journal of Physical Chemistry. A. 119: 559-70. PMID 25547646 DOI: 10.1021/jp509800g  0.602
2015 Dash MR, Rajakumar B. Theoretical investigations of the gas phase reaction of limonene (C10H16) with OH radical Molecular Physics. 113: 3202-3215. DOI: 10.1080/00268976.2015.1014002  0.601
2015 Parandaman A, Balaganesh M, Rajakumar B. Experimental and theoretical study on thermal decomposition of methyl butanoate behind reflected shock waves Rsc Advances. 5: 86536-86550. DOI: 10.1039/C5Ra16977A  0.608
2015 Dash MR, Rajakumar B. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods Physical Chemistry Chemical Physics. 17: 3142-3156. DOI: 10.1039/C4Cp04677C  0.613
2015 Dash MR, Srinivasulu G, Rajakumar B. Experimental and computational investigation on the gas phase reaction of p-cymene with Cl atoms Journal of Physical Chemistry A. 119: 559-570. DOI: 10.1021/Jp509800G  0.658
2014 Dash MR, Rajakumar B. Abstraction and addition kinetics of C2H radicals with CH4, C2H6, C3H8, C2H4, and C3H6: CVT/SCT/ISPE and hybrid meta-DFT methods. Physical Chemistry Chemical Physics : Pccp. 17: 3142-56. PMID 25515623 DOI: 10.1039/c4cp04677c  0.549
2014 Balaganesh M, Dash MR, Rajakumar B. Experimental and computational investigation on the gas phase reaction of ethyl formate with Cl atoms. The Journal of Physical Chemistry. A. 118: 5272-8. PMID 24945822 DOI: 10.1021/jp502963w  0.579
2014 Dash MR, Balaganesh M, Rajakumar B. Rate coefficients for the gas-phase reaction of OH radical with α-pinene: An experimental and computational study Molecular Physics. 112: 1495-1511. DOI: 10.1080/00268976.2013.840395  0.609
2014 Dash MR, Rajakumar B. Theoretical investigations on the kinetics of p-cymene + OH reaction Chemical Physics Letters. 597: 75-85. DOI: 10.1016/J.Cplett.2014.02.030  0.527
2014 Dash MR, Rajakumar B. Reaction kinetics of Cl atoms with limonene: An experimental and theoretical study Atmospheric Environment. 99: 183-195. DOI: 10.1016/J.Atmosenv.2014.09.066  0.662
2014 Sudhakar G, Rajakumar B. 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 Journal of Chemical Sciences. 126: 897-909. DOI: 10.1007/S12039-014-0666-0  0.586
2013 Srinivasulu G, Rajakumar B. Theoretical investigations on the kinetics of H-abstraction reactions from CF3CH(OH)CF3 by OH radicals. Journal of Physical Chemistry A. 117: 4534-4544. PMID 23638614 DOI: 10.1021/Jp4006907  0.62
2013 Dash MR, Rajakumar B. Experimental and theoretical rate coefficients for the gas phase reaction of β-Pinene with OH radical Atmospheric Environment. 79: 161-171. DOI: 10.1016/J.Atmosenv.2013.05.039  0.569
2012 Balaganesh M, Rajakumar B. 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. The Journal of Physical Chemistry. A. 116: 9832-42. PMID 22984932 DOI: 10.1021/jp3077276  0.422
2012 Dash MR, Rajakumar B. Abstraction kinetics of H-atom by OH radical from pinonaldehyde (C 10H 16O 2): Ab initio and transition-state theory calculations Journal of Physical Chemistry A. 116: 5856-5866. PMID 22356198 DOI: 10.1021/Jp209208E  0.628
2012 Kaliginedi V, Ali MA, Rajakumar B. Kinetic parameters for the reaction of hydroxyl radical with CH 3OCH 2F (HFE-161) in the temperature range of 200-400 K: Transition state theory and Ab initio calculations International Journal of Quantum Chemistry. 112: 1066-1077. DOI: 10.1002/Qua.23075  0.621
2011 Ali MA, Upendra B, Rajakumar B. 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 Chemical Physics Letters. 511: 440-446. DOI: 10.1016/J.Cplett.2011.06.042  0.576
2011 Ali MA, Rajakumar B. Thermodynamic and kinetic studies of hydroxyl radical reaction with bromine oxide using density functional theory Computational and Theoretical Chemistry. 964: 283-290. DOI: 10.1016/J.Comptc.2011.01.013  0.541
2011 Ali MA, Rajakumar B. Computational study on OH radical reaction with CHF2CHFCHF2(HFC‐245ea) between 200 and 400 K International Journal of Chemical Kinetics. 43: 418-430. DOI: 10.1002/Kin.20569  0.576
2010 Ali MA, Rajakumar B. Kinetics of OH radical reaction with CF3CHFCH2F (HFC-245eb) between 200 and 400K: G3MP2, G3B3 and transition state theory calculations Journal of Molecular Structure-Theochem. 949: 73-81. DOI: 10.1016/J.Theochem.2010.03.006  0.643
2010 Gierczak T, Rajakumar B, Flad JE, Burkholder JB. Kinetic study of the reaction of the acetyl radical, CH3CO, with O3 using cavity ring-down spectroscopy Chemical Physics Letters. 484: 160-164. DOI: 10.1016/J.Cplett.2009.11.037  0.619
2010 Rajakumar B, Mccabe DC, Talukdar RK, Ravishankara AR. Rate coefficients for the reactions of oh with n-Propanol and iso-Propanol between 237 and 376 K International Journal of Chemical Kinetics. 42: 10-24. DOI: 10.1002/Kin.20456  0.674
2009 Ali MA, Rajakumar B. Rate coefficients for the reaction of OH with CF3CH2CH3 (HFC-263fb) between 200 and 400 K: ab initio, DFT, and transition state theory calculations. Journal of Computational Chemistry. 31: 500-509. PMID 19530106 DOI: 10.1002/Jcc.21336  0.621
2009 Gierczak T, Rajakumar B, Flad JE, Burkholder JB. Rate coefficients for the reaction of the acetyl radical, CH3CO, with Cl2 between 253 and 384 K International Journal of Chemical Kinetics. 41: 543-553. DOI: 10.1002/Kin.20430  0.648
2008 Rajakumar B, Gierczak T, Flad JE, Ravishankara AR, Burkholder JB. The CH3CO quantum yield in the 248 nm photolysis of acetone, methyl ethyl ketone, and biacetyl Journal of Photochemistry and Photobiology a: Chemistry. 199: 336-344. DOI: 10.1016/J.Jphotochem.2008.06.015  0.534
2007 Rajakumar B, Flad JE, Gierczak T, Ravishankara AR, Burkholder JB. Visible absorption spectrum of the CH3CO radical. The Journal of Physical Chemistry. A. 111: 8950-8. PMID 17705457 DOI: 10.1021/Jp073339H  0.529
2006 McCabe DC, Rajakumar B, Marshall P, Smith IW, Ravishankara AR. The relaxation of OH (v=1) and OD (v=1) by H2O and D2O at temperatures from 251 to 390 K. Physical Chemistry Chemical Physics : Pccp. 8: 4563-74. PMID 17047754 DOI: 10.1039/B609330B  0.638
2006 Rajakumar B, Portmann RW, Burkholder JB, Ravishankara AR. Rate coefficients for the reactions of OH with CF3CH2CH3 (HFC-263fb), CF3CHFCH2F (HFC-245eb), and CHF2CHFCHF2 (HFC-245ea) between 238 and 375 K. The Journal of Physical Chemistry. A. 110: 6724-31. PMID 16722689 DOI: 10.1021/Jp056248Y  0.67
2006 McCabe DC, Smith IWM, Rajakumar B, Ravishankara AR. Rate coefficients for the relaxation of OH (v = 1) by O 2 at temperatures from 204-371 K and by N 2O from 243-372 K Chemical Physics Letters. 421: 111-117. DOI: 10.1016/J.Cplett.2006.01.037  0.634
2005 Rajakumar B, Burkholder JB, Portmann RW, Ravishankara AR. Rate coefficients for the OH + CFH2CH2OH reaction between 238 and 355 K. Physical Chemistry Chemical Physics : Pccp. 7: 2498-505. PMID 15962035 DOI: 10.1039/B503332B  0.68
2002 Rajakumar B, Reddy KPJ, Arunan E. Unimolecular HCl Elimination from 1,2-Dichloroethane:  A Single Pulse Shock Tube and ab Initio Study† The Journal of Physical Chemistry A. 106: 8366-8373. DOI: 10.1021/Jp020008Q  0.634
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