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Dergiler / Journal of Physical Chemistry and Functional Materials / 2019 / Volume: 2 Issue: 2

Isotopic Effect on The Quantum Dynamics of ND+H/ NT+H Reaction

Seda Hekim(FIRAT UNIVERSITY)0000-0003-1932-6978
Sayfa
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Yayın Tarihi
2019-12-16
DOI
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⚡ TL;DR(1 Cümlede Hızlı Çıkarım)

The role of intermolecular isotope effects on reaction kinetics was emphasized.

📌 3 Maddede Bu Makale

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Amaç & Hipotez:The time-dependent wave packet method was employed to study the ND+H and NT+H reactions on the modified NH2 potential energy surface (PES) for excited state.
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Temel Bulgular & Veri:All the calculations are carried out using Centrifugal Sudden approximation method.
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Sonuç & Katkı:The role of intermolecular isotope effects on reaction kinetics was emphasized.
🔬Tür:Research Article
📍Kapsam:Genişletilmiş Akademik Örneklem
⚙️Değişkenler:Reaction kinetics · Centrifugal Sudden approximation · isotope effects

Abstract

The time-dependent wave packet method was employed to study the ND+H and NT+H reactions on the modified NH2 potential energy surface (PES) for excited state. All the calculations are carried out using Centrifugal Sudden approximation method. So, reaction kinetics were obtained for different initial rotation quantum numbers. The role of intermolecular isotope effects on reaction kinetics was emphasized.

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Bu Makaleye Atıf Yap

Hekim, S. (2019). Isotopic Effect on The Quantum Dynamics of ND+H/ NT+H Reaction. Journal of Physical Chemistry and Functional Materials, Volume: 2 Issue: 2. https://ajindex.com/articles/1511531

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