검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Electronegativity equalization method: Parameterization and validation for large sets of organic, organohalogene and organometal molecule Varekova RS, Jirouskova Z, Vanek J, Suchomel S, Koca J International Journal of Molecular Sciences, 8(7), 572, 2007 |
| 2 |
Analysis of thermally stimulated depolarization currents (TSDC) measured on exchanged clays Medout-Marere V, Belarbi H, Haouzi A, Giuntini JC, Douillard JM, Zanchetta JV, Vanderschueren J Journal of Colloid and Interface Science, 223(1), 61, 2000 |
| 3 |
The structure of water in crystalline aluminophosphates: Isolated water and intermolecular clusters probed by Raman spectroscopy, NMR and structural modeling Knops-Gerrits PP, Toufar H, Li XY, Grobet P, Schoonheydt RA, Jacobs PA, Goddard WA Journal of Physical Chemistry A, 104(11), 2410, 2000 |
| 4 |
Adsorption sites and diffusion rates of benzene in HY zeolite by force field based simulations Jousse F, Auerbach SM, Vercauteren DP Journal of Physical Chemistry B, 104(10), 2360, 2000 |
| 5 |
Nonlinear Electronic Responses, Fukui Functions and Hardnesses as Functionals of the Ground-State Electronic Density Senet P Journal of Chemical Physics, 105(15), 6471, 1996 |
| 6 |
Analysis of the Zeolite-Catalyzed H-Exchange Reaction of Methane Using Atom-in-Molecule Reactivity Indexes Janssens GO, Toufar H, Baekelandt BG, Mortier WJ, Schoonheydt RA Journal of Physical Chemistry, 100(34), 14443, 1996 |
| 7 |
Dependence of the Hardness of Atoms in Molecules on the Local Environment - An Ab-Initio Study Toufar H, Nulens K, Janssens GO, Mortier WJ, Schoonheydt RA, Deproft F, Geerlings P Journal of Physical Chemistry, 100(38), 15383, 1996 |
| 8 |
Effects of Solvation on Chemical Bonding - An Electron-Flow Analysis Cioslowski J, Martinov M Journal of Chemical Physics, 103(12), 4967, 1995 |
| 9 |
Reactivity Indexes and Fluctuation Formulas in Density-Functional Theory - Isomorphic Ensembles and a New Measure of Local Hardness Baekelandt BG, Cedillo A, Parr RG Journal of Chemical Physics, 103(19), 8548, 1995 |
| 10 |
Mapping Between Electron Population and Vibrational Normal-Modes Within the Charge Sensitivity Analysis Baekelandt BG, Janssens GO, Toufar H, Mortier WJ, Schoonheydt RA, Nalewajski RF Journal of Physical Chemistry, 99(24), 9784, 1995 |