Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems
Proton transfer is a governing factor in the proton exchange efficiency in membrane fuel cells (PEMFCs), which are an alternative environmentally friendly resource. To develop the capacity of the PEMFC system, anhydrous membranes containing imidazole groups have garnered much interest. In this resea...
محفوظ في:
المؤلفون الرئيسيون: | Piyarat Nimmanpipug, Janchai Yana, Vannajan Sanghiran Lee, Sornthep Vannarat, Suwabun Chirachanchai, Kohji Tashiro |
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التنسيق: | دورية |
منشور في: |
2018
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الوصول للمادة أونلاين: | https://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=84872090852&origin=inward http://cmuir.cmu.ac.th/jspui/handle/6653943832/48162 |
الوسوم: |
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المؤسسة: | Chiang Mai University |
مواد مشابهة
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Density functional molecular dynamics simulations investigation of proton transfer and inter-molecular reorientation under external electrostatic field perturbation: Case studies for water and imidazole systems
بواسطة: Piyarat Nimmanpipug, وآخرون
منشور في: (2018) -
Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations
بواسطة: Piyarat Nimmanpipug, وآخرون
منشور في: (2018) -
Proton transfer mechanism of 1,3,5-tri(2-benzimidazolyl) benzene with a unique triple-stranded hydrogen bond network as studied by DFT-MD simulations
بواسطة: Piyarat Nimmanpipug, وآخرون
منشور في: (2018) -
DFT study of proton transfer in methyl urocanate and butyl urocanate
بواسطة: Janchai Yana, وآخرون
منشور في: (2018) -
DFT study of proton transfer in methyl urocanate and butyl urocanate
بواسطة: Janchai Yana, وآخرون
منشور في: (2018)