Química Física

2000

1. A theoretical study of the P + + SH 2 reaction: Potential energy surfaces and reaction dynamics

   Journal of Physical Chemistry A, Vol. 104, Núm. 47, pp. 11095-11105

2. A comparative AIM study of alkyl monoethers and their protonated forms

   Chemical Physics Letters, Vol. 332, Núm. 5-6, pp. 474-480

3. A quantum chemical study of aniline/ammonia clusters. Thermodynamic properties and frequency analysis

   Journal of Molecular Structure: THEOCHEM, Vol. 497, Núm. 1-3, pp. 105-113

4. Ab initio molecular analysis of dimethyl ether dimer. Thermodynamic properties

   Theoretical Chemistry Accounts, Vol. 105, Núm. 1, pp. 1-6

5. Ab initio study and NBO interpretation of the anomeric effect in CH2(XH2)2 (X = N, P, As) compounds

   Journal of Physical Chemistry A, Vol. 104, Núm. 41, pp. 9362-9369

6. Aim study on the transferability of the oxygen atom in linear ethers

   Canadian Journal of Chemistry, Vol. 78, Núm. 12, pp. 1535-1543

7. An Ab Initio Interpretation in Gas Phase and Aqueous Solution of the Generalized Anomeric Effect in R - O - CR2 - NR2 (R = H, CH3)

   Journal of Computational Chemistry, Vol. 21, Núm. 6, pp. 462-477

8. An ab initio polarizable intermolecular potential for dimethyl ether: Application to liquid simulations

   Chemical Physics, Vol. 262, Núm. 2-3, pp. 423-436

9. Badger's rule revisited

   Chemical Physics Letters, Vol. 331, Núm. 5-6, pp. 497-501

10. Characterization and structure of molecular aggregates of a tetracationic porphyrin in LB films with a lipid anchor

    Journal of Physical Chemistry B, Vol. 104, Núm. 43, pp. 9966-9972

11. Competitive homolytic and heterolytic dediazoniation mechanisms: Rate constants and product distribution of methoxy-, hydroxy-, and hydro-dediazoniation of 3- and 4-methylbenzenediazonium salts in acidic MeOH/H2O mixtures

    International Journal of Chemical Kinetics, Vol. 32, Núm. 4, pp. 210-220

12. Conductivity of sodium bis(2-ethylhexyl)sulfosuccinate/isooctane/water microemulsions containing phase-transfer catalysts

    Journal of Chemical and Engineering Data, Vol. 45, Núm. 3, pp. 428-432

13. DFT conformational study of cysteine in gas phase and aqueous solution

    Journal of Molecular Structure: THEOCHEM, Vol. 498, Núm. 1-3, pp. 191-200

14. Dediazoniations in Water: An Integrated Physical Organic Chemistry Experiment

    Journal of Chemical Education, Vol. 77, Núm. 3, pp. 384-386

15. Determination of porphyrin dimer in a mixed monolayer of porphyrin/phospholipid transferred on ITO electrodes

    Electrochemistry Communications, Vol. 2, Núm. 4, pp. 276-280

16. Direct dynamics simulation of the methanethiol cation decomposition

    Chemical Physics Letters, Vol. 324, Núm. 1-3, pp. 88-94

17. Dynamics of the cis-trans isomerization and Cl-O dissociation of chlorine nitrite. Classical trajectory and statistical calculations

    Physical Chemistry Chemical Physics, Vol. 2, Núm. 23, pp. 5393-5399

18. Effects of alkylamines on the percolation phenomena in water/AOT/isooctane microemulsions

    Journal of Colloid and Interface Science, Vol. 225, Núm. 2, pp. 259-264

19. Effects of humic substances from composted or chemically decomposed poplar sawdust on mineral nutrition of ryegrass

    Journal of Agricultural Science, Vol. 134, Núm. 3, pp. 259-267

20. Electrochemical determination of rate constants and product yields for the spontaneous dediazoniation of p-nitrobenzenediazonium tetrafluoroborate in acidic aqueous solution

    International Journal of Chemical Kinetics, Vol. 32, Núm. 7, pp. 419-430