검색결과 : 167건
| No. | Article |
|---|---|
| 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 |
Molecular thermochemical study of Ni(II), Cu(II) and Zn(II) complexes with N,N'-bis(salicylaldehydo)ethylenediamine da Silva MDMCR, Goncalves JM, Silva ALR, Oliveira PCFC, Schroder B, da Silva MAVR Journal of Molecular Catalysis A-Chemical, 224(1-2), 207, 2004 |
| 10 |
The nature of the bonding in transition-metal compounds Frenking G, Frohlich N Chemical Reviews, 100(2), 717, 2000 |