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Density functional theory-based investigation of HCN and NH3 formation mechanisms during phenylalanine pyrolysis

机译：基于密度的泛函理论研究HCN和NH3形成机制在苯丙氨酸热解期间

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Baizhong Sun; Chuanqun Liu; Deyong Che; Hongpeng Liu; Shuai Guo;
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1. Density functional theory-based investigation of HCN and NH(3)formation mechanisms during phenylalanine pyrolysis [J] . Sun Baizhong, Liu Chuanqun, Che Deyong, RSC Advances . 2020,第47期

机译：基于密度的函数理论研究HCN和NH（3）形成机制在苯丙氨酸热解期间
2. Adsorption mechanisms of metal ions on the potassium dihydrogen phosphate (100) surface: A density functional theory-based investigation [J] . Wu Yulin, Zhang Lei, Liu Yao, Journal of Colloid and Interface Science . 2018,第期

机译：金属离子对磷酸二氢钾（100）表面的吸附机制：基于密度的函数理论研究
3. The mechanism of H_2 dissociation and adsorption on Mn-modified Ni(111) surface:A density functional theory-based investigation [J] . Allan Abraham B. Padama, Hideaki Kasai, Hiroyuki Kawai Surface Science . 2012,第1a2期

机译：H_2在Mn修饰的Ni（111）表面上的离解和吸附机理：基于密度泛函理论的研究
4. Formation of HCN and NH3 during the Pyrolysis and Gasification of Australian and Chinese Coals [C] . Jie Feng, Zongli Xie, Kerry C. Pratt, Annual international Pittsburgh coal conference . 2000

机译：澳大利亚和中国煤炭热解和气化过程中HCN和NH3的形成
5. Density functional theory calculations complement mass spectrometry experiments in the investigation of biomass fast pyrolysis and ion-molecule reaction mechanisms. [D] . Easton, Mckay Whetton. 2016

机译：密度泛函理论计算是对生物质快速热解和离子分子反应机理研究中质谱实验的补充。
6. Theoretical Investigation of the Formation Mechanism of NH3 and HCN during Pyrrole Pyrolysis: The Effect of H2O [O] . Ji Liu, Qiang Lu, Xiao-yan Jiang, 2018

机译：吡咯热解过程中NH3和HCN形成机理的理论研究：H2O的影响
7. Theoretical Investigation of the Formation Mechanism of NH3 and HCN during Pyrrole Pyrolysis: The Effect of H2O [O] . Ji Liu, Qiang Lu, Xiao-yan Jiang, 2018

机译：吡咯溶解过程中NH3和HCN形成机制的理论研究：H2O的作用
8. Investigations of the Imino Radicals in the Shock Tube Pyrolysis of N2H4, NH3, ND3 and Shock Tube Studies on N20 and NH3 at High Pressures [R] . Michel, K. W., Wagner, H. G. 1964

机译：N2H4，NH3，ND3的激波管热解过程中氨基自由基的研究及高压下N20和NH3的激波管研究

Density functional theory-based investigation of HCN and NH3 formation mechanisms during phenylalanine pyrolysis

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