| 1 |
DFT investigations of the reaction mechanism of diethyl carbonate synthesis catalyzed by Cu(I)/beta or Pd(II)/beta zeolites
Shen YL, Wang SP, Huang SY, Li Z, Ma XB
Applied Surface Science, 308, 237, 2014 |
| 2 |
A multivariate relationship for the impact sensitivities of energetic N-nitrocompounds based on bond dissociation energy
Li JS
Journal of Hazardous Materials, 174(1-3), 728, 2010 |
| 3 |
DFT study of the interaction between 3-nitro-1,2,4-triazole-5-one and hydrogen fluoride
Fang GY, Xu L, Hu XG, Li XH
Journal of Hazardous Materials, 160(1), 51, 2008 |
| 4 |
Flexing analysis of ethane internal rotation energetics
Goodman L, Gu HB, Pophristic V
Journal of Chemical Physics, 110(9), 4268, 1999 |
| 5 |
Electron pair (de)coupling in aniline radical cation and its implications for organic "mixed valence" systems
Karafiloglou P, Launay JP
Journal of Physical Chemistry A, 102(41), 8004, 1998 |
| 6 |
An Ab-Initio Study on Reactivity of Fluoroethane with Hydroxyl Radical - Application of G2 Theory
Sekusak S, Gusten H, Sabljic A
Journal of Physical Chemistry, 100(15), 6212, 1996 |
| 7 |
Molecular-Structures and Harmonic Vibrational Frequencies of M(2)O(3) (M=ga, in, Tl)
Archibong EF, Sullivan R
Journal of Physical Chemistry, 100(46), 18078, 1996 |
