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Showing 33 items
No.YearEnglish TitleChinese TitleAuthorsLink
No.YearEnglish TitleChinese TitleAuthorsLink
033 2017 Rapid Determination of Absolute Entropy from Molecular Dynamic Simulations 利用分子動力學模型快速決定系統的絕對熵值 Min-Hsien Lin HTML 
032 2017 Exploring the Properties of Carbon Dioxide Hydrate in Pure Water and Seawater via Molecular Dynamics Simulation 利用分子動力學模擬探討二氧化碳水合物在純水和海水中的性質 Chun-Lin Huang HTML 
031 2017 Prediction of Solubility of Heavy Hydrocarbons in Methane for Liquefied Natural Gas Process 預測液化天然氣程序中碳氫化合物在甲烷中的溶解度 Yun-Jie Wei HTML 
030 2016 Mechanism for the Replacement of CH4 in Methane Hydrates with CO2 in the Solid Phase via Molecular Dynamics Simulation 利用分子動力學模擬探討二氧化碳置換甲烷水合物的機制  Hsuan Lo HTML 
029 2016 How Does Conformation Flexibility Influence the Fluid Phase Behavior: An Investigation from First Principles 以第一原理計算探討分子構型對流體相行為的影響 Chih-Wei Chang HTML 
028 2015 Influence of the Additive Tetrahydrofuran on the Growth and Nucleation of Methane Hydrate via Molecular Dynamics Simulations 利用分子模擬探討添加劑四氫呋喃對甲烷水合物長晶與成核機制的影響 Jyun-Yi Wu HTML 
027 2015 Exploring Self-Preservation in Methane Hydrate Dissociation via Molecular Dynamics Simulation 以分子動力學模擬探討甲烷水合物之自我保護效應  Hung-I Chao HTML 
026 2015 Prediction of Vapor-Liquid Equilibrium of Acid-Alcohol-Ester-Water Reactive Systems from First Principles Calculations 第一原理計算酸醇酯水四成分具反應性系統汽液相平衡 Ping-Chung Yu HTML 
025 2015 Theoretical Study on the Exciton Binding Energy from Density Functional Theory Methods 運用密度泛函理論計算材料束縛能 Jui-Che Lee HTML 
024 2014 A First-Principles Study on the Factors Influencing the Coplanarity of Bithiophene-based Molecules 運用第一原理計算研究影響二噻吩類型分子共平面性之因素 Yi-Hung Li HTML 
023 2013 Prediction of Phase Equilibria of Associating and Polymeric Systems 耦合系統與高分子系統相平衡預測  Chan-Chia Hsu HTML 
022 2013 The Effect of tert-Butanol on the Growth Mechanism of Gas Hydrates via Molecular Dynamics Simulations 利用分子模擬探討異丁醇對氣體水合物生長機制之影響 Pei-Wen Tsai HTML 
021 2013 Rapid Determination of entropy and free energy of complex fluids from Molecular Dynamic Simulation 利用分子動力學模型快速計算複雜系統的熵與自由能  Pin-Kuang Lai HTML 
020 2012 Band Engineering of Conducting Polymers via First Principle Calculations 運用第一原理計算研究導電高分子之能隙工程 Ying-Chieh Hung HTML 
019 2012 First Principle Analysis of the Polymer Memory Device Based on Donor-Acceptor Copolymers 第一原理計算給體-受體高分子記憶元件的運作機制 Ling-Chen Chan HTML 
018 2012 Theoretical Study on the Surface Modified TiO2:P3HT Hybrid Solar Cells 染料改質二氧化鈦與有機半導體異質接面混摻太陽能電池的機制研究 Yu-Shinan Tang HTML 
017 2012 The Effect of tert-Butanol on Growth Mechanism of Gas Hydrates via Molecular Dynamics Simulations 利用分子模擬探討異丁醇對氣體水合物生長機制之影響 Pei-Wen Tsai  
016 2011 Atomistic molecular dynamics simulations for the growth mechanism of methane and carbon dioxide hydrates and the replacement mechanism 以分子動態模擬探討甲烷及二氧化碳氣體水合物結晶機制及二氧化碳置換甲烷機制 Yen-Tien Tung HTML 
015 2011 First principles investigation of the SrTiO3 based water splitting photocatalysts 利用第一原理計算研究鈦酸鍶水分解光觸媒 Hsin-Chieh Chen HTML 
014 2011 A theoretical model for organic bulk-heterojunction solar cells  有機混摻異質接面型太陽能電池的理論模型 Nai-Yung Chang HTML 
013 2011 Absolute entropy and free energy of pure substances from molecular dynamics simulations using the two-phase thermodynamic model 利用兩相熱力學模型與分子動力學模擬估算純物質之絕對熵與自由能 Shao-Nung Huang HTML 
012 2010 First-principles predictions of thermodynamic properties and phase equilibria for pure and mixture fluids 利用第一原理計算預測純物質與混合物之熱力學性質與相平衡 Chieh-Ming Hsieh HTML 
011 2010 Aqueous electrolyte electrical double layer nanocapacitors via molecular dynamics simulations 以分子動態模擬研究奈米水溶液電雙層電容器 Kuo-Yuan Tseng PDF 
010 2009 Prediction of drug solubility in mixture solvents based on first principle solvation calculations 利用量子力學溶合計算預測藥物在混合溶劑中的溶解度 Chun-Chieh Shu HTML 
009 2009 A theoretical model for conjugated polymer solar cells 導電高分子太陽能電池的理論模型 Po-Yu Tsai HTML 
008 2009 Prediction of thermodynamics properties of fully dissociated aqueous electrolyte solutions from a new activity coefficient model 以Pitzer電解質溶液模型結合COSMO-SAC模型預測電解質溶液之熱力學性質 Meng-Ting Hsieh HTML 
007 2009 Development of new equation of state by coordination number models 以配位數模型建構新的流體狀態方程式 Chan-Chia Hsu HTML 
006 2008 Early State Crystallization Process of Poly (Trimethylene Terephthalate) (PTT) Polymer from Atomistic Molecular Dynamics Simulations 以分子動態模擬研究PTT(聚對苯二甲酸丙二脂)結晶初期行為 Min-Kang Hsieh PDF 
005 2008 A Numerical model of Direct Methanol Fuel Cell 直接甲醇燃料電池的數值解模型 Chao-Jung Li PDF 
004 2007 Prediction of Mixture Vapor-Liquid Equilibrium from the Combined Use of Peng-Robinson Equation of State and COSMO-SAC Activity Coefficient Model 以狀態方程式結合COSMO-SAC模型預測混合物之液氣相平衡 Ming-Tsung Lee PDF 
003 2007 Analytical model of direct methanol fuel cell 直接甲醇燃料電池的解析解模型 Chung-Min Lin PDF 
002 2007 Computer Simulation for Prediction Capacitance of Electrical Double layer capacitor 以分子動態模擬預測液態電容器之電容率 Huang-Chu Ko PDF 
001 2006 Atomistic Molecular Dynamics Simulations for the Morphology and Property Relationship of Poly (Trimethylene Terephthalate) fibers 以電腦分子模擬探討PTT(聚對苯二甲酸丙二酯)纖維之結構與性質之關係 Yen-Tien Tung PDF 
Showing 33 items