| 1 |
Group additive modeling of substituent effects in monocyclic aromatic hydrocarbon radicals
Ince A, Carstensen HH, Sabbe M, Reyniers MF, Marin GB
AIChE Journal, 63(6), 2089, 2017 |
| 2 |
Thermochemical studies of substituted phenylnitrenes: Enthalpies of formation of chlorophenylnitrenes
Wijeratne NR, Munsch TE, Haupert LJ, Wenthold PG
Journal of Chemical Thermodynamics, 73, 213, 2014 |
| 3 |
Density Functional Theory (DFT) Study of Edaravone Derivatives as Antioxidants
Borges RS, Queiroz AN, Mendes APS, Araujo SC, Franca LCS, Franco ECS, Leal WG, da Silva ABF
International Journal of Molecular Sciences, 13(6), 7594, 2012 |
| 4 |
A Promising Tool to Achieve Chemical Accuracy for Density Functional Theory Calculations on Y-NO Homolysis Bond Dissociation Energies
Li HZ, Hu LH, Tao W, Gao T, Li H, Lu YH, Su ZM
International Journal of Molecular Sciences, 13(7), 8051, 2012 |
| 5 |
DFT study on energetic tetrazolo-[1,5-b]-1,2,4,5-tetrazine and 1,2,4-triazolo-[4,3-b]-1,2,4,5-tetrazine derivatives
Wei T, Zhu WH, Zhang JJ, Xiao HM
Journal of Hazardous Materials, 179(1-3), 581, 2010 |
| 6 |
Degradation mechanism of Alizarin Red in hybrid gas-liquid phase dielectric barrier discharge plasmas: Experimental and theoretical examination
Xue J, Chen L, Wang HL
Chemical Engineering Journal, 138(1-3), 120, 2008 |
| 7 |
Calculations of bond dissociation energies and dipole moments in energetic materials using density-functional methods
Fang-Pei Z, Xin-Lu C, Zi-Jiang L, Qi-Hong L, Jun Z, Zhi-Jiang W
Journal of Hazardous Materials, 147(1-2), 658, 2007 |
| 8 |
Redox properties and bond dissociations energies of phenoxyl radicals
Grampp G, Landgraf S, Muresanu C
Electrochimica Acta, 49(4), 537, 2004 |
| 9 |
Photodissociation dynamics of propyne at 157 nm
Harich S, Lin JJ, Lee YT, Yang X
Journal of Chemical Physics, 112(15), 6656, 2000 |
| 10 |
Estimating heats of formation of hydrocarbon radicals by a combination of semiempirical calculation and family correlation with experimental values
Ma XL, Schobert HH
Journal of Physical Chemistry A, 104(5), 1064, 2000 |
