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Design of molecules and materials for applications in clean energy, catalysis and molecular machines through quantum mechanics, molecular dynamics and Monte Carlo simulations

机译：通过量子力学，分子动力学和蒙特卡洛模拟设计用于清洁能源，催化和分子机器的分子和材料

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作者
Mendoza-Cortes, Jose L.;
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作者单位

California Institute of Technology.;

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授予单位 California Institute of Technology.;
学科
学位 Ph.D.
年度 2012
页码 216 p.
总页数 216
原文格式 PDF
正文语种 eng
中图分类
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4. Application of the Monte Carlo method for creation of initial models of EAP molecules for Molecular Dynamics simulation [C] . Endel Soolo, Jaanus Karo, Heiki Kasemaegi, Electroactive Polymer Actuators and Devices(EAPAD) . 2006

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7. Design of molecules and materials for applications in clean energy, catalysis and molecular machines through quantum mechanics, molecular dynamics and Monte Carlo simulations [O] . Mendoza-Cortes Jose Luis 2012

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8. Quantum and Classical Monte Carlo and Molecular Dynamics Simulations of the Structures, Photoionization-Induced Fragmentation, and Optical Absorption Spectra of AlArN Clusters. [R] . Boatz, J. A., Sheehy, J. A., Hinde, R. J., 1999

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Design of molecules and materials for applications in clean energy, catalysis and molecular machines through quantum mechanics, molecular dynamics and Monte Carlo simulations

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