검색결과 : 7건
| No. | Article |
|---|---|
| 1 |
Interaction of CO Molecule with Au/MOR Catalyst: ONIOM-PM6 Study, Active Sites, Thermodynamic and Vibrational Frequencies Sierraalta A, Anez R, Diaz L, Gomperts R Journal of Physical Chemistry A, 114(25), 6870, 2010 |
| 2 |
A theoretical study on the mechanism of the reaction between Cl atoms and nitrobenzene Prana B, Gomperts R, Sordo JA Chemical Physics Letters, 392(1-3), 236, 2004 |
| 3 |
The standard enthalpies of formation of 1-and 2-Adamantyl cations and radicals. An ab initio study Abboud JLM, Castano O, Davalos JZ, Gomperts R Chemical Physics Letters, 337(4-6), 327, 2001 |
| 4 |
The standard enthalpy of formation of the 1-adamantyl cation in the gas phase. An experimental and ab initio re-assessment Flores H, Davalos JZ, Abboud JLM, Castano O, Gomperts R, Jimenez P, Notario R, Roux MV Journal of Physical Chemistry A, 103(38), 7555, 1999 |
| 5 |
The standard enthalpy of formation of the 1-adamantyl cation in the gas phase. An experimental and ab initio reassessment (vol 103, pg 7555, 1999) Flores H, Davalos JZ, Abboud JLM, Castano O, Gomperts R, Jimenez P, Notario R, Roux MV Journal of Physical Chemistry A, 103(44), 8908, 1999 |
| 6 |
Potential energy surface of cyclooctatetraene Andres JL, Castano O, Morreale A, Palmeiro R, Gomperts R Journal of Chemical Physics, 108(1), 203, 1998 |
| 7 |
Heats of formation of 1,3,5,7-cyclooctatetraene and bicyclo[4.2.0]octa-2,4,7-triene. A high-level ab initio study Castano O, Notario R, Gomperts R, Abboud JLM, Palmeiro R, Andres JL Journal of Physical Chemistry A, 102(26), 4949, 1998 |