Theoretical study of the adsorption of C5Hn (n=5,8, 10) on Ni(100) and Ni(111) surfaces

Comelli NC; Lopez MB; Castro EA

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Theoretical study of the adsorption of C5Hn (n=5,8, 10) on Ni(100) and Ni(111) surfaces

机译：Ni（100）和Ni（111）表面吸附C5Hn（n = 5,8，10）的理论研究

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ASED-MO method is applied to study the adsorption of cyclopentane, cyclopentene and cyclopendienile anion on Ni(100)(25) and Ni(111)(25) surfaces. Results show an increasing of the molecule-surface interaction the larger is the non-saturation degree of the cyclic structures and a greater stability degree on the (100) surface with respect to the (I 11) surface. (c) 2005 Elsevier B.V. All fights reserved.

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《Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems》 |2005年第3期|共8页
作者
Comelli NC; Lopez MB; Castro EA;
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正文语种 eng
中图分类结构化学;
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ASED-MO method; C5Hn (n=5; 8; 10); Ni(100) and Ni(111) surfaces; MOLECULAR-ORBITAL THEORY; ELECTRONIC-STRUCTURE; BENZENE ADSORPTION; PT(111); CYCLOPENTENE; REACTIVITY; HYDROCARBONS; CHEMISTRY;

机译：ASED-MO方法;C5Hn（n = 5;8;10）;Ni（100）和Ni（111）表面;分子轨道理论;电子结构;苯吸附;PT（111）;循环开放性;反应性;氢化物;化学;

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1. Theoretical study of the adsorption of C5Hn (n=5,8, 10) on Ni(100) and Ni(111) surfaces [J] . Comelli NC, Lopez MB, Castro EA Journal of Molecular Structure. Theochem: Applications of Theoretical Chemistry to Organic, Inorganic and Biological Problems . 2005,第1a3期

机译：Ni（100）和Ni（111）表面吸附C5Hn（n = 5,8，10）的理论研究
2. Theoretical study of CO and Pb adsorption on the Ni(111) and Ni_3Al(111) surfaces [J] . K. Kosmider Applied Surface Science . 2010,第15期

机译：Ni（111）和Ni_3Al（111）表面吸附CO和Pb的理论研究
3. DFT study of the adsorption and dissociation of water on Ni(111), Ni(110) and Ni(100) surfaces [J] . Abas Mohsenzadeh, Kim Bolton, Tobias Richards Surface Science . 2014,第sepa期

机译：DFT研究水在Ni（111），Ni（110）和Ni（100）表面上的吸附和解离
4. Surface-structure-dependent reaction pathways of methyl groups on ni(100) and Ni(111) surfaces [C] . Richard B. Hall, Miguel Castro, Chang Min Kim, International congress on catalysis;ICC . 1996

机译：Ni（100）和Ni（111）表面上甲基的表面结构依赖性反应途径
5. A study of the adsorption and sticking probability of methyl radicals on clean and oxygen modified Ni(100). [D] . Dickens, Karen Alicia. 1996

机译：清洁和氧气改性的Ni（100）上甲基自由基的吸附和粘附可能性的研究。
6. The ISIS-TTRRx-CS2 phase 3 study in patients with familial amyloid polyneuropathy: Baseline results of the first 100 patients for the NIS NIS+7 and mNIS+7 using different methods of scoring: identification of consistencies and key differences [O] . Rito Bergemann, Elizabeth Ackermann, Brett Monia, 2015

机译：ISIS-TTRRx-CS2的家族性淀粉样多发性神经病患者的3期研究：使用不同的评分方法对NISNIS + 7和mNIS + 7的前100名患者的基线结果：一致性和关键差异的鉴定
7. Interaction of methane with Ni(111) and Ni(100); diffusion of carbon into nickel through the (100) surface; An aes-leed study [O] . F.C. Schouten, O.L.J. Gijzeman, G.A. Bootsma 1979

机译：甲烷与Ni（111）和Ni（100）的相互作用;将碳传递到镍通过（100）表面; AES-LEED学习
8. Comparison of Benzene Adsorption on Ni(111) and Ni(100) [R] . Myers, A. K., Schoofs, G. R., Benziger, J. B. 1987

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Theoretical study of the adsorption of C5Hn (n=5,8, 10) on Ni(100) and Ni(111) surfaces

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