Ab initio, DFT and transition state theory calculations on 1, 2-HF, HCI and CIF elimination reactions from CH 2 F–CH 2 Cl B Rajakumar, E Arunan Physical Chemistry Chemical Physics 5 (18), 3897-3904, 2003 | 36 | 2003 |
The CH3CO quantum yield in the 248 nm photolysis of acetone, methyl ethyl ketone, and biacetyl B Rajakumar, T Gierczak, JE Flad, AR Ravishankara, JB Burkholder Journal of Photochemistry and Photobiology A: Chemistry 199 (2-3), 336-344, 2008 | 35 | 2008 |
Unimolecular HCl elimination from 1, 2-dichloroethane: A single pulse shock tube and ab initio study B Rajakumar, KPJ Reddy, E Arunan The Journal of Physical Chemistry A 106 (36), 8366-8373, 2002 | 30 | 2002 |
Rate coefficients for the OH+ CFH 2 CH 2 OH reaction between 238 and 355 K B Rajakumar, JB Burkholder, RW Portmann, AR Ravishankara Physical Chemistry Chemical Physics 7 (12), 2498-2505, 2005 | 28 | 2005 |
Theoretical Investigations on the Kinetics of H-Abstraction Reactions from CF3CH(OH)CF3 by OH Radicals G Srinivasulu, B Rajakumar The Journal of Physical Chemistry A 117 (22), 4534-4544, 2013 | 27 | 2013 |
Thermal decomposition of 2-fluoroethanol: Single pulse shock tube and ab initio studies B Rajakumar, KPJ Reddy, E Arunan The Journal of Physical Chemistry A 107 (46), 9782-9793, 2003 | 27 | 2003 |
Rate coefficients for the reactions of OH with CF3CH2CH3 (HFC-263fb), CF3CHFCH2F (HFC-245eb), and CHF2CHFCHF2 (HFC-245ea) between 238 and 375 K B Rajakumar, RW Portmann, JB Burkholder, AR Ravishankara The Journal of Physical Chemistry A 110 (21), 6724-6731, 2006 | 24 | 2006 |
Experimental and theoretical rate coefficients for the gas phase reaction of β-Pinene with OH radical MR Dash, B Rajakumar Atmospheric Environment 79, 161-171, 2013 | 23 | 2013 |
Rate Coefficients and Reaction Mechanism for the Reaction of OH Radicals with (E)-CF3CHCHF, (Z)-CF3CHCHF, (E)-CF3CFCHF, and (Z)-CF3CF … M Balaganesh, B Rajakumar The Journal of Physical Chemistry A 116 (40), 9832-9842, 2012 | 21 | 2012 |
Rate coefficients for the relaxation of OH (v= 1) by O2 at temperatures from 204–371 K and by N2O from 243–372 K DC McCabe, IWM Smith, B Rajakumar, AR Ravishankara Chemical physics letters 421 (1-3), 111-117, 2006 | 20 | 2006 |
Metal-free bipolar/octupolar organic dyes for DSSC application: A combined experimental and theoretical approach S Mandal, S Kushwaha, R Mukkamala, VK Siripina, IS Aidhen, ... Organic Electronics 36, 177-184, 2016 | 18 | 2016 |
Visible absorption spectrum of the CH3CO radical B Rajakumar, JE Flad, T Gierczak, AR Ravishankara, JB Burkholder The Journal of Physical Chemistry A 111 (37), 8950-8958, 2007 | 18 | 2007 |
Mechanism, kinetics and atmospheric fate of CF3CHCH2, CF3CFCH2, and CF3CFCF2 by its reaction with OH-radicals: CVT/SCT/ISPE and hybrid meta-DFT methods M Balaganesh, B Rajakumar Journal of Molecular Graphics and Modelling 48, 60-69, 2014 | 17 | 2014 |
The relaxation of OH (v= 1) and OD (v= 1) by H2O and D 2 O at temperatures from 251 to 390 K DC McCabe, B Rajakumar, P Marshall, IWM Smith, AR Ravishankara Physical Chemistry Chemical Physics 8 (39), 4563-4574, 2006 | 17 | 2006 |
Abstraction and addition kinetics of C 2 H radicals with CH 4, C 2 H 6, C 3 H 8, C 2 H 4, and C 3 H 6: CVT/SCT/ISPE and hybrid meta-DFT methods MR Dash, B Rajakumar Physical Chemistry Chemical Physics 17 (5), 3142-3156, 2015 | 16 | 2015 |
Rate coefficients for the reactions of OH with n‐propanol and iso‐propanol between 237 and 376 K B Rajakumar, DC McCabe, RK Talukdar, AR Ravishankara International Journal of Chemical Kinetics 42 (1), 10-24, 2010 | 16 | 2010 |
Experimental and computational investigation on the gas phase reaction of ethyl formate with Cl atoms M Balaganesh, MR Dash, B Rajakumar The Journal of Physical Chemistry A 118 (28), 5272-5278, 2014 | 15 | 2014 |
Abstraction Kinetics of H-Atom by OH Radical from Pinonaldehyde (C10H16O2): Ab Initio and Transition-State Theory Calculations MR Dash, B Rajakumar The Journal of Physical Chemistry A 116 (24), 5856-5866, 2012 | 15 | 2012 |
Kinetic investigations of Cl atom initiated photo-oxidation reactions of cyclic unsaturated hydrocarbons in the gas phase: an experimental and theoretical study S Vijayakumar, CB Ramya, A Kumar, B Rajakumar New Journal of Chemistry 41 (15), 7491-7505, 2017 | 14 | 2017 |
Kinetics of OH radical reaction with CF3CHFCH2F (HFC-245eb) between 200 and 400 K: G3MP2, G3B3 and transition state theory calculations MA Ali, B Rajakumar Journal of Molecular Structure: THEOCHEM 949 (1-3), 73-81, 2010 | 14 | 2010 |