For a long time, there has been a practice that sets the phenomenalism of the middle aged Leibnitz against the monism of the old-aged Leibnitz in the international studies of Leibnitz. Contrary to this tendency, the p...For a long time, there has been a practice that sets the phenomenalism of the middle aged Leibnitz against the monism of the old-aged Leibnitz in the international studies of Leibnitz. Contrary to this tendency, the paper demonstrate that monadism is the metaphysical objective of the phenomenalism of Leibnitz in terms of substance, the force-ontology and the theory of perception of Leibnitz on the basis of examination of the theoretical background of the phenomenalism of the middle-aged Leibnitz. Then the author show and demonstrate that the fundamental mediums of inter-relatedness of phenomenalism and mondism of Leibnitz from the doctrines of two kinds of substance, of matter and of force of Leibnitz. At last the paper concludes that only by adopting a kind of position and horizon of macroscopic holism and poly-layer,can it reach an unitary understanding and explanation of the phenomenlism and monalism of Leibnitz.展开更多
In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivat...In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivatives： HAT （hydrogen atom transfer）, SET-PT （single electron transfer-proton transfer） and SPLET （sequential proton-loss electron transfer） were investigated in gas and solution-phases. Solvent contribution to enthalpies was computed employing integral equation formalism IEF-PCM （integral equation formalism method） method. It turned out that the lowest BDEs （bond dissociation energies） is obtained for C-H bonds due to captodative effect in various media. Results indicate that HAT mechanism represents the most anticipated process in gas-phase from thermodynamic point of view. But, the SPLET represents the thermodynamically preferred reaction pathway in solvents （2-propanol, acetonitrile, DMF （N,N-dimethylformamide） and water）. The authors showed that bond dissociation energies, IP （ionization potential） and PA （proton affinity） are sufficient to evaluate the thermodynamically preferred mechanism.展开更多
文摘For a long time, there has been a practice that sets the phenomenalism of the middle aged Leibnitz against the monism of the old-aged Leibnitz in the international studies of Leibnitz. Contrary to this tendency, the paper demonstrate that monadism is the metaphysical objective of the phenomenalism of Leibnitz in terms of substance, the force-ontology and the theory of perception of Leibnitz on the basis of examination of the theoretical background of the phenomenalism of the middle-aged Leibnitz. Then the author show and demonstrate that the fundamental mediums of inter-relatedness of phenomenalism and mondism of Leibnitz from the doctrines of two kinds of substance, of matter and of force of Leibnitz. At last the paper concludes that only by adopting a kind of position and horizon of macroscopic holism and poly-layer,can it reach an unitary understanding and explanation of the phenomenlism and monalism of Leibnitz.
文摘In this article, we have performed B3LYP/6-31＋G（d） calculations of geometrical and reaction enthalpies of antioxidant mechanisms for ADPHT 1-4 （3-alkyl-4-phenylacetylamino-lH-1,2,4-triazol-5-ones） and its derivatives： HAT （hydrogen atom transfer）, SET-PT （single electron transfer-proton transfer） and SPLET （sequential proton-loss electron transfer） were investigated in gas and solution-phases. Solvent contribution to enthalpies was computed employing integral equation formalism IEF-PCM （integral equation formalism method） method. It turned out that the lowest BDEs （bond dissociation energies） is obtained for C-H bonds due to captodative effect in various media. Results indicate that HAT mechanism represents the most anticipated process in gas-phase from thermodynamic point of view. But, the SPLET represents the thermodynamically preferred reaction pathway in solvents （2-propanol, acetonitrile, DMF （N,N-dimethylformamide） and water）. The authors showed that bond dissociation energies, IP （ionization potential） and PA （proton affinity） are sufficient to evaluate the thermodynamically preferred mechanism.
