{"id":75537,"date":"2005-08-07T00:00:00","date_gmt":"2005-08-07T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/estudio-teorico-de-mecanismos-de-oxidacion-de-interes-en-qua%c2%admica-atmosferica-reacciones-de-terpenos-isopreno-y-productos-derivados\/"},"modified":"2005-08-07T00:00:00","modified_gmt":"2005-08-07T00:00:00","slug":"estudio-teorico-de-mecanismos-de-oxidacion-de-interes-en-qua%c2%admica-atmosferica-reacciones-de-terpenos-isopreno-y-productos-derivados","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/quimica\/estudio-teorico-de-mecanismos-de-oxidacion-de-interes-en-qua%c2%admica-atmosferica-reacciones-de-terpenos-isopreno-y-productos-derivados\/","title":{"rendered":"Estudio te\u00f3rico de mecanismos de oxidaci\u00f3n de inter\u00e9s en qu\u00edmica atmosf\u00e9rica: reacciones de terpenos, isopreno, y productos derivados"},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Ram\u00edrez Ram\u00edrez V\u00edctor Miguel <\/strong><\/h2>\n<p>Durante el per\u00edodo de disfrute de la beca predoctoral de formaci\u00f3n de personal investigador de la generalitat Valenciana, el becario d. V\u00edctor miguel ram\u00edrez ram\u00edrez ha trabajado sobre el proyecto de tesis doctoral correspondiente al estudio te\u00f3rico de mecanismos de oxidaci\u00f3n de inter\u00e9s en qu\u00edmica atmosf\u00e9rica, concretamente las reacciones de oxidaci\u00f3n de terpenos, isopreno, y compuestos relacionados.  los terpenos estudiados han sido el a-pineno, el b-pineno y el d-limoneno. se ha dilucidado el mecanismo de degradaci\u00f3n del a-pineno iniciado por el radical oh, analizando las posibles v\u00edas de reacci\u00f3n, y poniendo especial \u00e9nfasis en la reacci\u00f3n inicial de ataque del radical oxidante. Se han empleado los m\u00e9todos de c\u00e1lculo am1 (para realizar la exploraci\u00f3n preliminar de la hipersuperficie de energ\u00eda potencial), y el funcional b3lyp. Adem\u00e1s, se han realizado c\u00e1lculos hf y ump2 para el estudio de la reacci\u00f3n inicial de adici\u00f3n de oh o abstracci\u00f3n de h sobre este monoterpeno.  para el b-pineno y el d-limoneno se ha realizado un estudio detallado de la reacci\u00f3n inicial de adici\u00f3n de oh a todos los \u00e1tomos de carbono, a trav\u00e9s de todas las caras posibles, de los dobles enlaces existentes en estas mol\u00e9culas.  la metodolog\u00eda empleada ha sido el m\u00e9todo ump2 para realizar la optimizaci\u00f3n de geometr\u00edas, y c\u00e1lculos puntuales qcisd(t) sobre las estructuras optimizadas ump2, para el refinamiento de la energ\u00eda potencial.  adem\u00e1s de los terpenos mencionados, se ha realizado un estudio del mecanismo de oxidaci\u00f3n del isopreno, iniciado por el radical oh, del mismo modo que para el a-pineno. Tras una exploraci\u00f3n preliminar de la hipersuperficie de energ\u00eda potencial mediante el m\u00e9todo semiemp\u00edrico am1, se han estudiado las reacciones de formaci\u00f3n concernientes a algunos de los principales productos de degradaci\u00f3n, como son la metilvinilcetona, el formaldeh\u00eddo y algunos de los compuestos hidroxicarbon\u00edlicos identi<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Estudio te\u00f3rico de mecanismos de oxidaci\u00f3n de inter\u00e9s en qu\u00edmica atmosf\u00e9rica: reacciones de terpenos, isopreno, y productos derivados<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Estudio te\u00f3rico de mecanismos de oxidaci\u00f3n de inter\u00e9s en qu\u00edmica atmosf\u00e9rica: reacciones de terpenos, isopreno, y productos derivados <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Ram\u00edrez Ram\u00edrez V\u00edctor Miguel <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Universitat de val\u00e9ncia (estudi general)<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 08\/07\/2005<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li> Nebot Gil Ignacio Jos\u00e9<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: jos\u00e9 Albaladejo p\u00e9rez <\/li>\n<li>enrique Ort\u00ed guill\u00e9n (vocal)<\/li>\n<li>Antonio Largo cabrerizo (vocal)<\/li>\n<li> Sordo gonzalo Jos\u00e9 \u00e1ngel (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Ram\u00edrez Ram\u00edrez V\u00edctor Miguel Durante el per\u00edodo de disfrute de la beca predoctoral de formaci\u00f3n de personal 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