Dimas Concepcion - Profile on Academia.edu (original) (raw)
Address: Pueblo Nuevo, Provincia de Chiriqui, Panama
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Papers by Dimas Concepcion
Journal of Computational Chemistry, 1995
Ab initio MP2/6-31G** calculations render the same mechanism for the gasphase addition of HF and ... more Ab initio MP2/6-31G** calculations render the same mechanism for the gasphase addition of HF and HC1 to ethylene in contrast with previous HF/3-21G calculations. The leading interaction is in both cases the electrophilic attachment of the hydrogen atom in the hydrogen halide to a carbon atom in ethylene. The presence of a second molecule of hydrogen halide causes a catalytic effect by allowing an alternative mechanism for electron density rearrangement through ethylene polarization. 0 1995 by John Wiley & Sons, Inc.
Journal of Computational Chemistry, 1995
Ab initio MP2/6-31G** calculations render the same mechanism for the gasphase addition of HF and ... more Ab initio MP2/6-31G** calculations render the same mechanism for the gasphase addition of HF and HC1 to ethylene in contrast with previous HF/3-21G calculations. The leading interaction is in both cases the electrophilic attachment of the hydrogen atom in the hydrogen halide to a carbon atom in ethylene. The presence of a second molecule of hydrogen halide causes a catalytic effect by allowing an alternative mechanism for electron density rearrangement through ethylene polarization. 0 1995 by John Wiley & Sons, Inc.