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Designing New Materials for Ammonia Storage Using Density Functional Theory and Genetic Algorithms

机译：利用密度泛函理论和遗传算法设计氨储存新材料

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Jensen Peter Bjerre; Lysgaard Steen; Quaade Ulrich J.; Vegge Tejs;
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年度 2014
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正文语种 eng
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1. Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms [J] . Peter Bjerre Jensen, Steen Lysgaard, Ulrich J. Quaade Physical chemistry chemical physics: PCCP . 2014 ,第36期

机译：使用密度函数理论和遗传算法设计用于氨储存的混合金属卤化物氨水
2. Designing new donor materials based on functionalized DCCnT with different electron-donating groups: A density functional theory (DFT) and time dependent density functional theory (TDDFT)-based study [J] . Xu Xiaoping, Zheng Shaohui International Journal of Quantum Chemistry . 2020 ,第8期

机译：基于不同电子捐赠组的官能化DCCNT设计新的供体材料：密度泛函理论（DFT）和时间依赖性密度泛函理论（TDDFT）基础研究
3. Designing New Structural Materials Using Density Functional Theory: The Example of Gum Metal™ [J] . H. Ikehata, N. Nagasako, S. Kuramoto, MRS bulletin . 2006 ,第9期

机译：使用密度泛函理论设计新的结构材料：Gum Metal™的例子
4. The structural and electronic properties of amine-functionalized boron nitride nanotubes via ammonia plasmas: a density functional theory study [C] . Fenglei Cao, Wei Ren, Yue-meng Ji, ICMSI;International conference of molecular simulations and applied informatics technologies . 2010

机译：通过氨等离子体的胺官能化氮化硼纳米管的结构和电子性质：密度泛函理论研究
5. Understanding and Improving Hydrogen Storage Materials with Density Functional Theory Methods [D] . Welchman, Evan. 2017

机译：用密度函数理论方法了解和改进储氢材料
6. Transition from exo- to endo- Cu absorption in CuSin clusters: A Genetic Algorithms Density Functional Theory (DFT) Study [O] . Ofelia B. Oña, Marta B. Ferraro, Julio C. Facelli -1

机译：从肠道簇中的exo- end- Cu吸收转变：遗传算法密度泛函理论（DFT）研究
7. Designing mixed metal halide ammines for ammonia storage using density functional theory and genetic algorithms [O] . Jensen Peter Bjerre, Lysgaard Steen, Quaade Ulrich J., 2014

机译：使用密度泛函理论和遗传算法设计用于氨储存的混合金属卤化物胺

Designing New Materials for Ammonia Storage Using Density Functional Theory and Genetic Algorithms

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