Results 1-265 of 265 (Search time: 0.014 seconds).

Issue DateTitleAuthor(s)SourcescopusWOSFulltext/Archive link
12022Modeling of phase separation solvent for CO2 capture using COSMO-SAC modelHung Y.-C; Hsieh C.-M; Machida H; SHIANG-TAI LIN ; Shimoyama Y.Journal of the Taiwan Institute of Chemical Engineers1
22022Phase equilibrium modeling of mixtures containing conformationally flexible molecules with the COSMO-SAC modelHung Y.-C; Hsieh C.-M; Machida H; SHIANG-TAI LIN ; Shimoyama Y.Journal of Molecular Liquids1
32021Unveiling the mechanism of CO2-driven phase change in amine + water + glycol ether ternary mixtureHung Y.-C; Hsieh C.-M; Machida H; Lin S.-T; Shimoyama Y.; SHIANG-TAI LIN Journal of the Taiwan Institute of Chemical Engineers00
42021Promotion mechanism for the growth of CO2hydrate with urea using molecular dynamics simulationsWang P.-W; Wu D.T; Lin S.-T.; SHIANG-TAI LIN Chemical Communications54
52021A robust and automated approach for the calculation of absolute entropy from the two-phase thermodynamic model with Gaussian memory functionLin M.-H; Lin S.-T.; SHIANG-TAI LIN Springer Series in Materials Science00
62021Towards design of phase separation solvent for CO2 capture using COSMO-SAC modelHung Y.-C; Hsieh C.-M; Machida H; Lin S.-T; Shimoyama Y.; SHIANG-TAI LIN Journal of Molecular Liquids32
72021Screening of CO2 utilization routes from process simulation: Design, optimization, environmental and techno-economic analysisLee C.-T; Tsai C.-C; Wu P.-J; Yu B.-Y; Lin S.-T.; SHIANG-TAI LIN Journal of CO2 Utilization75
82021Novel Donor-Electret-Acceptor Framework for Higher Charge Transfer and Distance of Charge Transfer through Dipole EngineeringVikramaditya T; Lin S.-T.; SHIANG-TAI LIN Journal of Physical Chemistry C11
92020化學工程學系課程與教學在人工智慧發展下的因應與演進汪上曉; 林祥泰; 康嘉麟; 陳榮輝; 陳信文; 陳志銘; SHIANG-TAI LIN 化工0
102020Evaluating the direct CO 2 to diethyl carbonate (DEC) process: Rigorous simulation, techno-economical and environmental evaluationYu, B.-Y.; Wu, P.-J.; Tsai, C.-C.; Lin, S.-T.; SHIANG-TAI LIN Journal of CO2 Utilization1310
112020電腦輔助分子設計在特用化學品開發上的應用黃晨軒; 林祥泰; SHIANG-TAI LIN 化工0
122020Prediction of the equilibrium conditions of clathrate hydrates using updated pressure dependence of the langmuir adsorption constant in the van der Waals-Platteeuw modelHsieh M.-K; Lin S.-T; Chen L.-J.; SHIANG-TAI LIN AIChE Annual Meeting, Conference Proceedings0
132020A Benchmark Open-Source Implementation of COSMO-SACBell, I.H.; Mickoleit, E.; Hsieh, C.-M.; Lin, S.-T.; Vrabec, J.; Breitkopf, C.; J?ger, A.; SHIANG-TAI LIN Journal of Chemical Theory and Computation3736
142020First-principles prediction of solid solute solubility in supercritical carbon dioxide using PR+COSMOSAC EOSCai, Z.-Z.; Liang, H.-H.; Chen, W.-L.; Lin, S.-T.; Hsieh, C.-M.; SHIANG-TAI LIN Fluid Phase Equilibria128
152020Extended Pitzer-Debye-H?ckel Model for Long-Range Interactions in Ionic LiquidsChang, C.-K.; Lin, S.-T.; SHIANG-TAI LIN Journal of Chemical and Engineering Data1210
162020Integration of modern computational chemistry and ASPEN PLUS for chemical process designTsai, C.-C.; Lin, S.-T.; SHIANG-TAI LIN AIChE Journal21
172020Accurate Prediction of Vertical Emission from Excited-State Tuning of Range-Separated Density Functional TheoryVikramaditya, T.; Lin, S.-T.; SHIANG-TAI LIN Journal of Physical Chemistry C44
182020Improved Prediction of Phase Behaviors of Ionic Liquid Solutions with the Consideration of Directional Hydrogen Bonding InteractionsChang, C.-K.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research33
192020Effect of small cage guests on dissociation properties of tetrahydrofuran hydratesChang, K.-Y.; Chu, C.-K.; Chu, L.-S.; Chen, Y.-A.; Lin, S.-T.; Chen, Y.-P.; Chen, L.-J.; SHIANG-TAI LIN ; YAN-PING CHEN ; LI-JEN CHEN Journal of Physical Chemistry B22
202020Computer-aided molecular design for chemical and energy applicationsHuang C.-H; Lin S.-T.; SHIANG-TAI LIN AIChE Annual Meeting, Conference Proceedings0
212019化工熱力學的新發展專輯前言林祥泰; SHIANG-TAI LIN 化工0
222019Exact Local Composition Model for Two-Dimensional Lattice FluidsLiu, T.-C.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research00
232019以深度學習模型預測量子力學性質及活性係數章絜鈞; 汪上曉; 康嘉麟; 許軒豪; 黃承軒; 林祥泰; SHIANG-TAI LIN 化工0
242019全自動熱力學物性預測與程序設計上的應用余柏毅; 蔡昌哲; 林祥泰; SHIANG-TAI LIN 化工0
252019應用狀態方程式預測藥物在超臨界二氧化碳的溶解度蔡宗哲; 謝介銘; 梁興豪; 林祥泰; SHIANG-TAI LIN 化工0
262019Prediction and Reasoning for the Occurrence of Lower Critical Solution Temperature in Aqueous Solution of Ionic LiquidsTsai Y.-R.; Lin S.-T. Industrial & Engineering Chemistry Research55
272019Extended Pitzer-Debye-H?ckel Model for Long-Range Interactions in Ionic LiquidsChang, C.-K.; Lin, S.-T.; SHIANG-TAI LIN Journal of Chemical and Engineering Data1210
282019Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT ExchangeVikramaditya, T.; Lin, S.-T.; SHIANG-TAI LIN Journal of Computational Chemistry55
292019Theory and Kinetic Monte Carlo Simulation of Guest Molecule Transport in sI Clathrate Hydrates Based on Cage HoppingChu L.-S.; Wu D.T.; Lin S.-T. Journal of Physical Chemistry C21
302019New Data Structure for Computational Molecular Design with Atomic or Fragment ResolutionHsu, H.-H.; Huang, C.-H.; Lin, S.-T.; SHIANG-TAI LIN Journal of Chemical Information and Modeling00
312019Efficient Computation of Entropy and Other Thermodynamic Properties for Two-Dimensional Systems Using Two-Phase Thermodynamic ModelPannir Sivajothi S.S.; Lin S.-T. ; Maiti P.K.Journal of Physical Chemistry B 55
322019Improvement to PR+COSMOSAC EOS for Predicting the Vapor Pressure of Nonelectrolyte Organic Solids and LiquidsLiang H.-H.; Li J.-Y.; Wang L.-H.; Lin S.-T. ; Hsieh C.-M.Industrial and Engineering Chemistry Research 1414
332019A new approach for developing exact local composition models for lattice fluidsLiu T.-C.; Lin S.-T. Journal of the Taiwan Institute of Chemical Engineers 11
342019Stable, color-tunable 2D SCN-based perovskites: Revealing the critical influence of an asymmetric pseudo-halide on constituent ionsLi C.-H.; Tsai C.-C.; Liao M.-Y.; Su Y.-A.; Lin S.-T. ; Chueh C.-C.Nanoscale 1615
352018Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gapsVikramaditya, T.; Chai, J.-D.; Lin, S.-T.; SHIANG-TAI LIN Journal of Computational Chemistry1010
362018SkaSim – Scalable HPC Software for Molecular Simulation in the Chemical Industry [SkaSim – Skalierbare HPC-Software f?r molekulare Simulationen in der chemischen Industrie]Vrabec, J.; Bernreuther, M.; Bungartz, H.-J.; Chen, W.-L.; Cordes, W.; Fingerhut, R.; Glass, C.W.; Gmehling, J.; Hamburger, R.; Heilig, M.; Heinen, M.; Horsch, M.T.; Hsieh, C.-M.; H?lsmann, M.; J?ger, P.; Klein, P.; Knauer, S.; K?ddermann, T.; K?ster, A.; Langenbach, K.; Lin, S.-T.; Neumann, P.; Rarey, J.; Reith, D.; Rutkai, G.; Schappals, M.; Schenk, M.; Schedemann, A.; Sch?nherr, M.; Seckler, S.; Stephan, S.; St?bener, K.; Tchipev, N.; Wafai, A.; Werth, S.; Hasse, H.; SHIANG-TAI LIN Chemie-Ingenieur-Technik44
372018Improved Directional Hydrogen Bonding Interactions for the Prediction of Activity Coefficients with COSMO-SACChang C.-K.; Chen W.-L.; Wu D.T.; Lin S.-T. Industrial and Engineering Chemistry Research 118
382018SkaSim ¡V Scalable HPC Software for Molecular Simulation in the Chemical Industry [SkaSim ¡V Skalierbare HPC-Software f?r molekulare Simulationen in der chemischen Industrie]Vrabec J.; Bernreuther M.; Bungartz H.-J.; Chen W.-L.; Cordes W.; Fingerhut R.; Glass C.W.; Gmehling J.; Hamburger R.; Heilig M.; Heinen M.; Horsch M.T.; Hsieh C.-M.; H?lsmann M.; J?ger P.; Klein P.; Knauer S.; K?ddermann T.; K?ster A.; Langenbach K.; Lin S.-T. ; Neumann P.; Rarey J.; Reith D.; Rutkai G.; Schappals M.; Schenk M.; Schedemann A.; Sch?nherr M.; Seckler S.; Stephan S.; St?bener K.; Tchipev N.; Wafai A.; Werth S.; Hasse H.Chemie-Ingenieur-Technik 44
392018Prediction of Gas and Liquid Solubility in Organic Polymers Based on the PR+COSMOSAC Equation of StateWang L.-H.; Hsieh C.-M.; Lin S.-T. Industrial and Engineering Chemistry Research 66
402018Prediction of solid-liquid-gas equilibrium for binary mixtures of carbon dioxide + organic compounds from approaches based on the COSMO-SAC modelChen C.-Y.; Wang L.-H.; Hsieh C.-M.; Lin S.-T. Journal of Supercritical Fluids 88
412018Fully Automated Molecular Design with Atomic Resolution for Desired Thermophysical PropertiesHsu H.-H.; Huang C.-H.; Lin S.-T. Industrial and Engineering Chemistry Research 33
422018Equilibrium and Transport Properties of Methane at the Methane/Water Interface with the Presence of SDSLin Z.-Y.; Wu D.T.; Lin S.-T. Journal of Physical Chemistry C 119
432018Measurements of diffusion coefficient of methane in water/brine under high pressureChen Y.-A.; Chu C.-K.; Chen Y.-P.; Chu L.-S.; Lin S.-T. ; Chen, L. J. Terrestrial, Atmospheric and Oceanic Sciences 77
442017Artificial Intelligence for Molecular DesignS.-T. Lin 
452017Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theoryVikramaditya, T.; Lin, S.-T.; SHIANG-TAI LIN Journal of Computational Chemistry1111
462017The Origin of Ion-Pairing and Redissociation of Ionic LiquidLee B.-S.; Lin S.-T. Journal of Physical Chemistry B 1414
472017Water Vacancy Driven Diffusion in Clathrate Hydrates: Molecular Dynamics Simulation StudyLo H.; Lee M.-T.; Lin S.-T. Journal of Physical Chemistry C 2117
482017Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculationsChen W.-L.; Lin S.-T. Physical Chemistry Chemical Physics 99
492017Prediction and screening of solubility of pharmaceuticals in single- and mixed-ionic liquids using COSMO-SAC modelLee B.-S.; Lin S.-T. AIChE Journal 2321
502017Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase EquilibriaFingerhut R.; Chen W.-L.; Schedemann A.; Cordes W.; Rarey J.; Hsieh C.-M.; Vrabec J.; Lin S.-T. Industrial and Engineering Chemistry Research 4142
512017Mechanism of Gas Replacement in sI CH4-CO2 Hydrate System via Molecular Dynamics and Kinetic Monte Carlo SimulationL.-S. Chu; S.-T. Lin 
522017Coupled Geomechanics and Fluid Flow Modeling on Gas Production from Hydrate Deposits: A Case Study in TaiwanY. C. Chiu; C. Y. Wu; B. Z. Hsieh; S. T. Lin 
532017Development of Reservoir Engineering Technologies for the Exploitation of Natural Gas HydratesB.-Z. Hsieh; R.-M. Wu; D. S. Wong; W.-Y. Sean; M.-J. Lee; C.-S. Su; Y.-C. Liao; S.-T. Lin ; L.-J. Chen; Y.-P. Chen
542017Molecular Dynamics Simulation for Defect Driven Phenomena: Diffusion of Guest Molecules & CO2-CH4 Replacement in ClathrateM.-T. Lee; H. Lo; S.-T. Lin 
552017A Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid Phase EquilibriaR. Fingerhut; W.-l. Chen; A. Schedemann; W. Cordes; J. Rarey; C.-m. Hsieh; S.-T. Lin ; J. Vrabec
562017Atom-Based Computer-Aided Molecular Design with Genetic Algorithm and Simulated Annealing AlgorithmH.-H. Hsu; C.-H. Huang; S.-T. Lin 
572016Measurement for the dissociation conditions of methane and carbon dioxide hydrate in the presence of additive materialsYAN-PING CHEN ; LI-JEN CHEN ; SHIANG-TAI LIN ; Tang, MuoiMRS Advances 20
582016Measurement for the dissociation conditions of methane and carbon dioxide hydrate in the presence of additive materialsChen, Y.-P.; Chen, L.-J.; Lin, S.-T.; Tang, M.; SHIANG-TAI LIN MRS Advances20
592016A novel multiscale approach for rapid prediction of phase behaviors with consideration of molecular conformationsYang L.; Chang C.-W.; Lin S.-T. AIChE Journal 66
602016A Critical Evaluation on the Performance of COSMO-SAC Models for Vapor-Liquid and Liquid-Liquid Equilibrium Predictions Based on Different Quantum Chemical CalculationsChen W.-L.; Hsieh C.-M.; Yang L.; Hsu C.-C.; Lin S.-T. Industrial and Engineering Chemistry Research 5245
612016Molecular dynamics study on the nucleation of methane + tetrahydrofuran mixed guest hydrateWu J.-Y.; CHEN, L. J. ; CHEN, Y. P. ; Lin S.-T. Physical Chemistry Chemical Physics 3130
622016Prediction of Gas Sorption Isotherms in Organic Polymer Systems by PR+COSMOSAC Equation of StateL.-H. Wang; S.-T. Lin 
632016Mechanism for the Replacement of CH4 in Methane Hydrates with CO2 in the Solid PhaseH. Lo; S.-T. Lin 
642016The Refinement of COSMO-SAC Model for Associating FluidsW.-L. Chen; S.-T. Lin 
652016Improved 2PT method for calculating thermodynamic properties from molecular dynamics simulationsM.-H. Lin; S.-T. Lin 
662016A Novel Approach of Modeling Orientational Hydrogen Bonding Interactions in Associating Fluids with the COSMO-SAC ActivityW.-L. Chen; S.-T. Lin 
672016Prediction of pH Effect on the Octanol-Water Partition Coefficient of Ionizable PharmaceuticalsChen C.-S.; Lin S.-T. Industrial and Engineering Chemistry Research 1615
682016Reservoir Engineering Simulation for Gas Hydrate Recovery Offshore Southwest TaiwanS.-T. Lin 
692016Simultaneous Prediction of Dissociation and Phase Behaviors of Ionic Liquid SolutionsB.-S. Lee; S.-T. Lin 
702016Chain length effect of ionic liquid 1-alkyl-3-methylimidazolium chloride on the phase equilibrium of methane hydrateChu C.-K.; Lin S.-T. ; Chen Y.-P.; Chen P.-C.; Chen L.-J.Fluid Phase Equilibria 2222
712015Molecular Dynamics Study on the Growth Mechanism of Methane plus Tetrahydrofuran Mixed HydratesWu, J.-Y.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T.; SHIANG-TAI LIN Journal of Physical Chemistry C2421
722015Internal coordinate density of state from molecular dynamics simulationLai, P.-K.; Lin, S.-T.; SHIANG-TAI LIN Journal of Computational Chemistry 54
732015Measurements for the equilibrium conditions of methane hydrate in the presence of cyclopentanone or 4-hydroxy-4-methyl-2-pentanone additivesJuan, Y.-W.; Tang, M.; Chen, L.-J.; Lin, S.-T.; Chen, P.-C.; Chen, Y.-P.; SHIANG-TAI LIN ; LI-JEN CHEN Fluid Phase Equilibria 1111
742015Assessment of density functional methods for exciton binding energies and related optoelectronic propertiesLee J.-C.; Chai J.-D.; Lin S.-T. RSC Advances 3930
752015Theoretical study on the torsional potential of alkyl, donor, and acceptor substituted bithiophene: The hidden role of noncovalent interaction and backbone conjugationLin T.-J.; Lin S.-T. Physical Chemistry Chemical Physics 1919
762015A Novel Multiscale Approach for Prediction of Thermodynamics Properties Based on Distribution of Molecular ConformationsL. Yang; C.-W. Chang; S.-T. Lin 
772015Can Molecular Dynamics Simulations Provide a Quantitative Description for the Rate of Methane Hydrate Dissociation?H. Lo; S.-T. Lin 
782015A Priori Prediction of Phase Behaviors of Ionic LiquidsB.-S. Lee; S.-T. Lin 
792015Prediction of Vapor and Sublimation Pressure for Pure Compounds from the Modified PR+Cosmosac Equation of StateL.-H. Wang; S.-T. Lin 
802015Nucleation of CH4+THF Mixed Guest Hydrate from Molecular Dynamic SimulationsJ.-Y. Wu; S.-T. Lin 
812015From First Principles to Fluid Phase EquilibriaS.-T. Lin 
822015Can Molecular Dynamics Simulations Provide a Quantitative Description for the Rate of Methane Hydrate Dissociation?H. Lo; S.-T. Lin 
832015Direct and Rapid Calculation of Entropy and Free Energy from Molecular Dynamics SimulationsS.-T. Lin 
842015Ion-Pairing and Redissociation of Ionic LiquidB.-S. Lee; S.-T. Lin 
852015Improved COSMO-SAC for Polar Nonhydrogen Bonding SpeciesW.-L. Chen; S.-T. Lin 
862015Rapid Characterization and Validity Quantum Isotope Effect Between Light and Heavy Water through Two-Phase ThermodynamicsL. Yang; K.-Y. Yeh; S.-T. Lin 
872015A Priori Prediction of Dissociation Phenomena and Phase Behaviors of Ionic LiquidsLee, B.-S.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 2524
882015First Principle Prediction of Equilibrium Constant of Esterification ReactionsC.-W. Chang; L. Yang; S.-T. Lin 
892015Nucleation and Growth of CH4+THF Mixed Guest Hydrates from Molecular Dynamic SimulationsJ.-Y. Wu; S.-T. Lin 
902015Replacement of CH4 in Methane Hydrates with CO2: Some Insights from Molecular Dynamics SimulationsS.-T. Lin 
912015Molecular dynamics study on the equilibrium and kinetic properties of tetrahydrofuran clathrate hydratesWu J.-Y.; CHEN, L. J. ; Chen Y.-P. ; LIN, S. T. Journal of Physical Chemistry C 3030
922015Inhibition effect of 1-ethyl-3-methylimidazolium chloride on methane hydrate equilibriumChu, C.-K.; Chen, P.-C.; Chen, Y.-P.; Lin, S.-T.; Chen, L.-J.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Chemical Thermodynamics 2318
932015Rapid prediction of solvation free energy and vapor pressure of liquid and solid from molecular dynamics simulationYang, L.; Lin, S.-T.; SHIANG-TAI LIN AIChE Journal 58
942015Screening of ionic liquids for CO2 capture using the COSMO-SAC modelLee, B.-S.; Lin, S.-T.; SHIANG-TAI LIN Chemical Engineering Science 6565
952015Improved Prediction of Vapor Pressure for Pure Liquids and Solids from the PR+COSMOSAC Equation of StateWang, L.-H.; Hsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 1616
962014Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behaviorHsieh, C.-M.; Lin, S.-T.; Vrabec, J.; SHIANG-TAI LIN Fluid Phase Equilibria 3436
972014Corrigendum to: Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior [Fluid Phase Equilib., 367, (2014), 109-116], 10.1016/j.fluid.2014.01.032Hsieh, C.-M.; Lin, S.-T.; Vrabec, J.; SHIANG-TAI LIN Fluid Phase Equilibria 43
982014A predictive method for the solubility of drug in supercritical carbon dioxideWang, L.-H.; Lin, S.-T.; SHIANG-TAI LIN Journal of Supercritical Fluids 2726
992014A priori prediction of the octanol-water partition coefficient (Kow) of ionic liquidsLee, B.-S.; Lin, S.-T.; SHIANG-TAI LIN Fluid Phase Equilibria 2423
1002014Corrigendum to: Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior [Fluid Phase Equilib., 367, (2014), 109-116], 10.1016/j.fluid.2014.01.032Hsieh, C.-M.; Lin, S.-T.; Vrabec, J.; SHIANG-TAI LIN Fluid Phase Equilibria43
1012014Molecular Dynamics Simulation for Quantitative Description of Thermodynamic Properties of Methane HydratesH.-I. Chao; S. Luo; S.-T. Lin 
1022014Recent Advances in 2pt Theory for Fast Calculation of Material Entropy and Free EnergyS.-T. Lin 
1032014Calculation of Thermodynamic Properties of Structure I Methane Hydrate from Molecular Dynamics SimulationsK.-Y. Yeh; S.-T. Lin ; L.-J. Chen
1042014A Predictive Model to the Drug Solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin 
1052014Molecular Dynamics Simulation for Quantitative Description of Thermodynamic Properties of Methane HydratesH.-I. Chao; S. Luo; S.-T. Lin 
1062014A New Force Field for Accurate Thermodynamic Properties of Ch4-Thf HydratesJ.-Y. Wu; S.-T. Lin 
1072014The Force Field Investigation for Accurate Thermodynamic Properties of Ch4-Thf HydratesJ.-Y. Wu; S.-T. Lin 
1082014First Principle Prediction of Equilibrium Constant of Esterification ReactionsP.-C. Yu; S.-T. Lin 
1092014A Prior Prediction of the Phase Behavior of Acetic Acid and Its Mixture by Explicit Consideration of Hydrogen Bonded DimersW.-L. Chen; S.-T. Lin 
1102014Diffusive and quantum effects of water properties in different states of matterYeh, K.-Y.; Huang, S.-N.; Chen, L.-J.; Lin, S.-T.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Chemical Physics 66
1112014Rapid determination of entropy for flexible molecules in condensed phase from the two-phase thermodynamic modelLai, P.-K.; Lin, S.-T.; SHIANG-TAI LIN RSC Advances 87
1122014A priori prediction of the vapor-liquid equilibria of mixtures of acetic acid and water or alcohols by explicit consideration of hydrogen-bonded dimersChen, W.-L.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 44
1132013Band gap engineering via controlling donor-acceptor compositions in conjugated copolymersHung, Ying Chieh; CHI-YANG CHAO ; CHI-AN DAI ; WEI-FANG SU ; SHIANG-TAI LIN Journal of Physical Chemistry B119
1142013Primary Nucleation of Methane Hydrates via Molecular Dynamics SimulationH.-H. Ma; S.-T. Lin 
1152013Fluid phase coexistence for the oxidation of cyclohexane in CO<inf>2</inf>expanded liquids: COSMO-SAC vs. molecular simulationHsieh, C.-M.; Merker, T.; Lin, S.-T.; Hasse, H.; Vrabec, J.; SHIANG-TAI LIN Chemie-Ingenieur-Technik00
1162013Band gap engineering via controlling donor-acceptor compositions in conjugated copolymersHung, Y.-C.; Chao, C.-Y.; Dai, C.-A.; Su, W.-F.; Lin, S.-T.; SHIANG-TAI LIN Journal of Physical Chemistry B119
1172013Prediction of phase equilibrium of methane hydrates in the presence of ionic liquidsChin, H.-Y.; Lee, B.-S.; Chen, Y.-P.; Chen, P.-C.; Lin, S.-T.; Chen, L.-J.; SHIANG-TAI LIN ; LI-JEN CHEN Industrial and Engineering Chemistry Research 2120
1182013Prediction of phase behaviors of polymer-solvent mixtures from the COSMO-SAC activity coefficient modelKuo, Y.-C.; Hsu, C.-C.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 1515
1192013Prediction of phase behaviors of ionic liquids over a wide range of conditionsLee, B.-S.; Lin, S.-T.; SHIANG-TAI LIN Fluid Phase Equilibria 2222
1202013Prediction of phase behaviors of acetic acid containing fluidsChen, W.-L.; Hsu, C.-C.; Lin, S.-T.; SHIANG-TAI LIN Fluid Phase Equilibria 88
1212013Fluid phase coexistence for the oxidation of cyclohexane in CO2 expanded liquids: COSMO-SAC vs. molecular simulationHsieh, C.-M.; Merker, T.; Lin, S.-T.; Hasse, H.; Vrabec, J.; SHIANG-TAI LIN Chemie-Ingenieur-Technik 00
1222013Measurements for the dissociation conditions of methane hydrate in the presence of 2,5-dihydrofuran and 3,4-dihydro-2H-pyranCheng, C.-T.; Chen, L.-J.; Lin, S.-T.; Tang, M.; Chen, P.-C.; Chen, Y.-P.; SHIANG-TAI LIN ; LI-JEN CHEN Fluid Phase Equilibria 97
1232013Fluid-phase coexistence for the oxidation of CO2 expanded cyclohexane: Experiment, molecular simulation, and COSMO-SACMerker, T.; Hsieh, C.-M.; Lin, S.-T.; Hasse, H.; Vrabec, J.; SHIANG-TAI LIN AIChE Journal 77
1242013Application of COSMO-SAC and Molecular Simulation to An Industrially Important Pentenary SystemC.-M. Hsieh; T. Merker; S.-T. Lin ; H. Hasse,; J. Vrabec
1252013Measurements of the Dissociation Conditions of Gas Hydrates in the Presence of Hydrocarbon AdditivesY.-P. Chen; L.-J. Chen; S.-T. Lin ; M. Tang
1262013Theoretical Study on the Surface Modified TiO2:P3HT Hybrid Solar CellsY.-H. Li; S.-T. Lin 
1272013Prediction of Phase Behaviors of Ionic Liquids Over a Wide Range of ConditionsB.-S. Lee; S.-T. Lin 
1282013Prediction of Phase Behavior of Strongly Associating Fluids By Explicit Consideration of Transitions in Local Fluid StructuresW.-L. Chen; C.-C. Hsu; S.-T. Lin 
1292013Simultaneous Modeling of the Vapor-Liquid and Liquid-Liquid Equilibria of Fluids Containing Acetic AcidW.-L. Chen; S.-T. Lin 
1302013Prediction of the drug solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin 
1312013Growth of Tetrahydrofuran (THF) Clathrate Hydrates: A Molecular Dynamics StudyJ.-Y. Wu; S.-T. Lin 
1322013Theoretical Study on Resistive Memory Devices based on PolyimidesL.-C. Chan; S.-T. Lin 
1332013A Predictive Model to the Drug Solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin 
1342013Growth of Tetrahydrofuran (THF) Clathrate Hydrates: A Molecular Dynamics StudyJ.-Y. Wu; S.-T. Lin 
1352013Prediction of Drug Solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin 
1362013Understanding the Role of Dispersive Interactions in the COSMO-SAC ModelC.-M. Hsieh; S.-T. Lin ; J. Vrabec
1372013Effect of Chain Length of Ionic Liquid On the Formation of Methane HydrateC.-K. Chu; H.-Y. Chin; P.-C. Chen; Y.-P. Chen; S.-T. Lin ; L.-J. Chen
1382013Band Gap Engineering on Conjugated Polymers for High Efficiency Organic Solar CellsY.-C. Hung; S.-T. Lin 
1392013Growth of Tetrahydrofuran (THF) Clathrate Hydrates: A Molecular Dynamics StudyJ.-Y. Wu; S.-T. Lin 
1402013Primary Nucleation of Methane Hydrates via Molecular Dynamics SimulationH.-H. Ma; S.-T. Lin 
1412013Prediction of phase equilibrium for gas hydrate in the presence of organic inhibitors and electrolytes by using an explicit pressure-dependent Langmuir adsorption constant in the van der Waals-Platteeuw modelChin, H.-Y.; Hsieh, M.-K.; Chen, Y.-P.; Chen, P.-C.; Lin, S.-T.; Chen, L.-J.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Chemical Thermodynamics 2019
1422012Band structure engineering for low band gap polymers containing thienopyrazineChao, C.-Y.; Chao, C.-H.; Chen, L.-P.; Hung, Y.-C.; Lin, S.-T.; Su, W.-F.; Lin, C.-F.; SHIANG-TAI LIN ; Chao, Chi-Yang ; CHING-FUH LIN ; WEI-FANG SU Journal of Materials Chemistry 1413
1432012Effect of mixing rule boundary conditions on high pressure (liquid + liquid) equilibrium predictionHsieh, M.-K.; Lin, S.-T.; SHIANG-TAI LIN Journal of Chemical Thermodynamics 55
1442012Predictive method for the change in equilibrium conditions of gas hydrates with addition of inhibitors and electrolytesHsieh, M.-K.; Yeh, Y.-T.; Chen, Y.-P.; Chen, P.-C.; Lin, S.-T.; Chen, L.-J.; SHIANG-TAI LIN ; LI-JEN CHEN Industrial and Engineering Chemistry Research 2727
1452012The role of long-range interactions in the phase behavior of ionic liquidsLee, B.-S.; Lin, S.-T.; SHIANG-TAI LIN Physical Chemistry Chemical Physics 1111
1462012Stability of positively charged solutes in water: A transition from hydrophobic to hydrophilicPascal, T.A.; Lin, S.-T.; Goddard, W.; Jung, Y.; SHIANG-TAI LIN Journal of Physical Chemistry Letters 87
1472012First-principles prediction of phase equilibria using the PR + COSMOSAC equation of stateHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN Asia-Pacific Journal of Chemical Engineering 1310
1482012Explicit pressure dependence of the Langmuir adsorption constant in the van der Waals-Platteeuw model for the equilibrium conditions of clathrate hydratesHsieh, M.-K.; Ting, W.-Y.; Chen, Y.-P.; Chen, P.-C.; Lin, S.-T.; Chen, L.-J.; SHIANG-TAI LIN ; LI-JEN CHEN Fluid Phase Equilibria 2220
1492012Theoretical investigation of the metal-doped SrTiO 3 photocatalysts for water splittingChen, H.-C.; Huang, C.-W.; Wu, J.C.S.; Lin, S.-T.; SHIANG-TAI LIN ; JEFFREY CHI-SHENG WU Journal of Physical Chemistry C 114110
1502012Prediction of phase behaviors of strong association systems by PR+cosmosac equation of stateHsu, C.-C.; Chen, W.-L.; Lin, S.-T.; SHIANG-TAI LIN 2012 AIChE Annual Meeting
1512012Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic modelLai, P.-K.; Hsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN Physical Chemistry Chemical Physics 3231
1522012Molecular dynamics study on the growth of structure i methane hydrate in aqueous solution of sodium chlorideTung, Y.-T.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Physical Chemistry B 5153
1532011Band structure engineering for low band gap polymers based on 3-hexylthiophene and thienopyrazineCHI-YANG CHAO ; Chao, Chung Hsiang; Chen, Lung Pin; Hung, Ying Chieh; SHIANG-TAI LIN ; WEI-FANG SU ACS National Meeting Book of Abstracts00
1542011A special tribute to Stan Sandler: The reach and impact of a life-long dedication to the chemical engineering professionSum, A.K.; Lin, S.-T.; Prausnitz, J.M.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 00
1552011A priori predictions of critical loci from the combined use of PRSV equation of state and the COSMO-SAC model through the MHV1 mixing ruleTai, Y.-S.; Hsieh, M.-T.; Lee, M.-T.; Wong, D.S.H.; Lin, S.-T.; SHIANG-TAI LIN Fluid Phase Equilibria 22
1562011Band structure engineering for low band gap polymers based on 3-hexylthiophene and thienopyrazineChao, C.-Y.; Chao, C.-H.; Chen, L.-P.; Hung, Y.-C.; Lin, S.-T.; Su, W.-F.; SHIANG-TAI LIN ACS National Meeting Book of Abstracts 
1572011A special tribute to Stan Sandler: The reach and impact of a life-long dedication to the chemical engineering professionSum, A.K.; Lin, S.-T.; Prausnitz, J.M.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research00
1582011Prediction of drug solubility in mixed solvent systems using the COSMO-SAC activity coefficient modelShu, C.-C.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 2524
1592011Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC modelLin, S.-T.; Wang, L.-H.; Chen, W.-L.; Lai, P.-K.; Hsieh, C.-M.; SHIANG-TAI LIN Fluid Phase Equilibria 2223
1602011Employing an amphiphilic interfacial modifier to enhance the performance of a poly(3-hexyl thiophene)/TiO2 hybrid solar cellHuang, Yu-Ching; Hsu, Jui-Hung; Liao, Yu-Chia; Yen, Wei-Che; Li, Shao-Sian; Lin, Shiang-Tai; Chen, Chun-Wei; Su, Wei-Fang; Huang, Yu-Ching; SHIANG-TAI LIN ; WEI-FANG SU ; Hsu, Jui-Hung; Liao, Yu-Chia; Yen, Wei-Che; Li, Shao-Sian; Lin, Shiang-Tai ; Chen, Chun-Wei ; Su, Wei-Fang Journal of Materials Chemistry 5553
1612011In situ methane recovery and carbon dioxide sequestration in methane hydrates: A molecular dynamics simulation studyTung, Y.-T.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Physical Chemistry B 6155
1622011A predictive model for the excess gibbs free energy of fully dissociated electrolyte solutionsHsieh, M.-T.; Lin, S.-T.; SHIANG-TAI LIN AIChE Journal 3132
1632011First-principles prediction of vapor-liquid-liquid equilibrium from the PR+COSMOSAC equation of stateHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 1514
1642011Marching into molecular designLin, S.-T.; SHIANG-TAI LIN Asia-Pacific Journal of Chemical Engineering33
1652011Marching into molecular designLin, S.-T.; SHIANG-TAI LIN Asia-Pacific Journal of Chemical Engineering 33
1662011New donor-acceptor oligoimides for high-performance nonvolatile memory devicesLee, W.-Y.; Kurosawa, T.; Lin, S.-T.; Higashihara, T.; Ueda, M.; Chen, W.-C.; SHIANG-TAI LIN ; WEN-CHANG CHEN Chemistry of Materials 9494
1672011Thermodynamics of liquids: Standard molar entropies and heat capacities of common solvents from 2PT molecular dynamicsPascal, T.A.; Lin, S.-T.; Goddard III, W.A.; SHIANG-TAI LIN Physical Chemistry Chemical Physics 117114
1682011Thermodynamic Properties and Fluid Phase Equilibria without Experimental MeasurementsLIN SHIANG-TAI ; C.M. HsiehApplication of Thermodynamics to Biological and Materials Science 
1692011A predictive model for the solubility and octanol-water partition coefficient of pharmaceuticalsHsieh, C.-M.; Wang, S.; Lin, S.-T.; S; ler, S.I.; SHIANG-TAI LIN Journal of Chemical and Engineering Data 3836
1702011Thermodynamics of water entry in hydrophobic channels of carbon nanotubesKumar, H.; Mukherjee, B.; Lin, S.-T.; Dasgupta, C.; Sood, A.K.; Maiti, P.K.; SHIANG-TAI LIN Journal of Chemical Physics 7878
1712011Measurements for the dissociation conditions of methane hydrate in the presence of 1,3,5-trioxane and oxolan-2-ylmethanolKo, W.-Y.; Chen, L.-J.; Lin, S.-T.; Chen, Y.-P.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Chemical and Engineering Data 1112
1722011Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic modelHuang, S.-N.; Pascal, T.A.; Goddard, W.A.; Maiti, P.K.; Lin, S.-T.; SHIANG-TAI LIN Journal of Chemical Theory and Computation 4139
1732011Growth of structure i carbon dioxide hydrate from molecular dynamics simulationsTung, Y.-T.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Physical Chemistry C 6163
1742010Improvements of COSMO-SAC for vapor-liquid and liquid-liquid equilibrium predictionsHsieh, C.-M.; S; ler, S.I.; Lin, S.-T.; SHIANG-TAI LIN Fluid Phase Equilibria 208197
1752010The growth of structure i methane hydrate from molecular dynamics simulationsTung, Y.-T.; Chen, L.-J.; Chen, Y.-P.; Lin, S.-T.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Physical Chemistry B 9794
1762010Measurements for the dissociation conditions of methane hydrate in the presence of 2-Methyl-2-propanolKuo, P.-C.; Chen, L.-J.; Lin, S.-T.; Chen, Y.-P.; SHIANG-TAI LIN ; LI-JEN CHEN Journal of Chemical and Engineering Data 1617
1772010Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulationsLin, S.-T.; Maiti, P.K.; Goddard III, W.A.; SHIANG-TAI LIN Journal of Physical Chemistry B 222218
1782010Entropy and dynamics of water in hydration layers of a bilayerDebnath, A.; Mukherjee, B.; Ayappa, K.G.; Maiti, P.K.; Lin, S.-T.; SHIANG-TAI LIN Journal of Chemical Physics 6768
1792010Prediction of liquid-liquid equilibrium from the Peng-Robinson+COSMOSAC equation of stateHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN Chemical Engineering Science 3232
1802009Theoretical study on the correlation between band gap, bandwidth, and oscillator strength in fluorene-based donor-acceptor conjugated copolymersHung, Ying Chieh; Jiang, Jyh Chiang; CHI-YANG CHAO ; WEI-FANG SU ; SHIANG-TAI LIN Journal of Physical Chemistry B7163
1812009First-principles predictions of vapor-liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculationsHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 4344
1822009Theoretical study on the correlation between band gap, bandwidth, and oscillator strength in fluorene-based donor-acceptor conjugated copolymersHung, Y.-C.; Jiang, J.-C.; Chao, C.-Y.; Su, W.-F.; Lin, S.-T.; SHIANG-TAI LIN Journal of Physical Chemistry B7163
1832009Synthesis and characterization of low bandgap copolymers based on lndenofluorene and thiophene derivativeYen, W.-C.; Pal, B.; Yang, J.-S.; Hung, Y.-C.; Lin, S.-T.; Chao, C.-Y.; Su, W.-F.; SHIANG-TAI LIN ; CHI-YANG CHAO ; WEI-FANG SU ; JYE-SHANE YANG Journal of Polymer Science, Part A: Polymer Chemistry 3736
1842009Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculationsWang, S; Lin, ST; Watanasiri, S; Chen, CC; Wang, S; SHIANG-TAI LIN ; Lin, ST; Watanasiri, S; Chen, CCFluid Phase Equilibria 1818
1852009Reply to "Comment on "Towards the development of theoretically correct liquid activity coefficient models""Lin, S.-T.; Hsieh, M.-K.; Hsieh, C.-M.; Hsu, C.-C.; Huang, S.-N.; SHIANG-TAI LIN Journal of Chemical Thermodynamics 10
1862009Prediction of 1-octanol-water partition coefficient and infinite dilution activity coefficient in water from the PR + COSMOSAC modelHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN Fluid Phase Equilibria 2528
1872009Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulationsHsieh, M.-K.; Lin, S.-T.; SHIANG-TAI LIN Journal of Physics Condensed Matter 22
1882009Towards the development of theoretically correct liquid activity coefficient modelsSHIANG-TAI LIN ; Hsieh, MK; Hsieh, CM; Hsu, CCJournal of Chemical Thermodynamics 1617
1892008Substituent Effect on the Optoelectronic Properties of Alternating Fluorene-Cyclopentadithiophene CopolymersPal, Bikash; Yen, Wei-Che; Yang, Jye-Shane ; Chao, Chi-Yang ; Hung, Ying-Chieh; Lin, Shiang-Tai ; Chuang, Chia-Hao; Chen, Chun-Wei ; Su, Wei-Fang Macromolecules7071
1902008Determination of cubic equation of state parameters for pure fluids from first principle solvation calculationsHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN AIChE Journal 3936
1912008Reply to "comments on 'refinement of COSMO - SAC and the applications"Sandler, S.I.; Wang, S.; Lin, S.T.; Goddard III, W.A.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research22
1922008Stress-induced crystallization of poly(Trimethylene Terephthalate) fibers by molecular dynamic simulationsHsieh, M.-K.; Lin, S.-T.; SHIANG-TAI LIN AIChE Annual Meeting
1932008Determination of cubic equation of state parameters for pure and mixture fluids from first principle solvation calculationsHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN AIChE Annual Meeting, Conference Proceedings 
1942008Determination of cubic equation of state parameters for pure and mixture fluids from first principle solvation calculationsHsieh, C.-M.; Lin, S.-T.; SHIANG-TAI LIN AIChE Annual Meeting, Conference Proceedings 
1952008Improper matching of solvation energy components in Gex-based mixing rulesLin, S.-T.; Hsieh, M.-T.; Lin, Shiang-Tai; Hsieh, Meng-Ting; Lin, Shiang-Tai ; SHIANG-TAI LIN ; Hsieh, Meng-TingFluid Phase Equilibria 1111
1962008Reply to "comments on 'refinement of COSMO - SAC and the applications"S; ler, S.I.; Wang, S.; Lin, S.T.; Goddard III, W.A.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 22
1972008Stress-induced crystallization of poly(Trimethylene Terephthalate) fibers by molecular dynamic simulationsHsieh, M.-K.; Lin, S.-T.; SHIANG-TAI LIN AIChE Annual Meeting
1982007以分子電腦模擬探討PTT(聚對苯二甲酸丙二酯)纖維之結構與性質之關係(3/3)林祥泰 
1992007以分子電腦模擬探討PTT(聚對苯二甲酸丙二酯)纖維之結構與性質之關係(2/3)林祥泰 
2002007Prediction of mixture vapor–liquid equilibrium from the combined use of Peng–Robinson equation of state and COSMO-SAC activity coefficient model through the Wong–Sandler mixing ruleLee, Ming-Tsung ; Lin, Shiang-Tai Fluid Phase Equilibria 
2012007Molecular dynamic simulations of polymer crystallization at the early stageHsieh, M.-K.; Lin, S.-T.; SHIANG-TAI LIN AIChE Annual Meeting, Conference Proceedings 
2022007Prediction of mixture vapor-liquid equilibrium from the combined use of Peng-Robinson equation of state and COSMO-SAC activity coefficient model through the Wong-Sandler mixing ruleLee, M.-T.; Lin, S.-T.; SHIANG-TAI LIN Fluid Phase Equilibria 3835
2032007Molecular dynamic simulations of polymer crystallization at the early stageHsieh, M.-K.; Lin, S.-T.; SHIANG-TAI LIN AIChE Annual Meeting, Conference Proceedings 
2042007Solvation and chemical engineering thermodynamicsLin, S.-T.; Hsieh, C.-M.; Lee, M.-T.; Lin, Shiang-Tai; Hsieh, Chieh-Ming; Lee, Ming-Tsung; Lin, Shiang-Tai ; SHIANG-TAI LIN ; Hsieh, Chieh-Ming; Lee, Ming-Tsung Journal of the Chinese Institute of Chemical Engineers 2624
2052006Reply to the comment on "application of the COSMO-SAC-BP solvation model to predictions of normal boiling temperatures for environmentally significant substances"Wang, S.; Lin, S.-T.; Chang, J.; Goddard III, W.A.; Sandler, S.I.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research22
2062006Mechanical properties of nanocrystalline diamond filmsShen, Z. H.; Hess, P.; Huang, J. P.; Lin, Y. C.; Chen, K. H.; Chen, L. C.; Lin, S. T.; SHIANG-TAI LIN Journal of Applied Physics2824
2072006Dynamic modeling and control structure design of an experimental fuel processorLin, S. T.; Chen, Y. H.; Yu, C. C.; Liu, Y. C.; Lee, C. H.; SHIANG-TAI LIN International Journal of Hydrogen Energy3026
2082006Entropy of Water in the Hydration Layer of Major and Minor Grooves of DNAJana, Biman; Pal, Subrata; Maiti, Prabal K.; Lin, Shiang-Tai ; Hynes, James T.; Bagchi, BimanThe Journal of Physical Chemistry B 7778
2092006Application of the COSMO-SAC-BP Solvation Model to Predictions of Normal Boiling Temperatures for Environmentally Significant SubstancesWang, Shu; Lin, Shiang-Tai ; Chang, Jaeeon; Goddard III, William A.; Sandler, Stanley I.Industrial & Engineering Chemistry Research 3230
2102006Thermodynamic equations of state from molecular solvationLin, Shiang-Tai; SHIANG-TAI LIN ; Lin, Shiang-Tai Fluid Phase Equilibria 1011
2112006Efficient and accurate solvation energy calculation from polarizable continuum modelsLin, S.-T.; Hsieh, C.-M.; Lin, Shiang-Tai ; SHIANG-TAI LIN ; Hsieh, Chieh-MingJournal of Chemical Physics 2327
2122006Reply to the comment on "application of the COSMO-SAC-BP solvation model to predictions of normal boiling temperatures for environmentally significant substances"Wang, S.; Lin, S.-T.; Chang, J.; Goddard III, W.A.; S; ler, S.I.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 22
2132005淺談電腦分子模擬在化學工程之應用林祥泰 化工技術 
2142005Modelling an experimental methane fuel processorLin, S. T.; Chen, Y. H.; Yu, C. C.; Liu, Y. C.; Lee, C. H.; SHIANG-TAI LIN Journal of Power Sources2625
2152005利用多重尺度電腦模擬預測複雜系統之熱物性質及相平衡林祥泰 ; Lin, Shiang-Tai 
2162005Mobile construction supply chain management using PDA and bar codesTserng, H. P.; Dzeng, R. J.; Lin, Y. C.; Lin, S. T.; SHIANG-TAI LIN Computer-Aided Civil and Infrastructure Engineering4736
2172005Reaction of Mo(CO)(4)(NCCH3)(2) and 7-aza-2-tosylnorbornadieneDing, M. F.; Lin, S. T.; Chow, T. J.; SHIANG-TAI LIN Inorganica Chimica Acta00
2182005Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scalesLin, S.-T.; Maiti, P.K.; Goddard III, W.A.; SHIANG-TAI LIN Journal of Physical Chemistry B 130126
2192005Effect of solvent and pH on the structure of PAMAM dendrimersMaiti, P.K.; ?a?in, T.; Lin, S.-T.; Goddard III, W.A.; SHIANG-TAI LIN Macromolecules 370359
2202005Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Fréchet polyaryl ethereal dendrimer and linear PTFEJang, S.S.; Lin, S.-T.; ?a?in, T.; Molinero, V.; Goddard III, W.A.; SHIANG-TAI LIN Journal of Physical Chemistry B 6055
2212004Erratum: A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model (Industrial and Engineering Chemistry Research 41, 5 (903))Lin, S.-T.; S; ler, S.I.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 
2222004X-Ray absorption studies of boron-carbon-nitrogen (BxCyNz) ternary alloysRay, S. C.; Tsai, H. M.; Chiou, J. W.; Jan, J. C.; Kumar, K.; Pong, W. F.; Chien, F. Z.; Tsai, M. H.; Chattopadhyay, S.; Chen, L. C.; Chien, S. C.; Lee, M. T.; Lin, S. T.; Chen, K. H.; SHIANG-TAI LIN Diamond and Related Materials1516
2232004Erratum: A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model (Industrial and Engineering Chemistry Research 41, 5 (903))Lin, S.-T.; Sandler, S.I.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research20
2242004Molecular dynamics study of a surfactant-mediated decane-water interface: Effect of molecular architecture of alkyl benzene sulfonateJang, S.S.; Shiang-Tai, L.; Maiti, P.K.; Blanco, M.; Goddard III, W.A.; Shuler, P.; Tang, Y.; SHIANG-TAI LIN Journal of Physical Chemistry B 221198
2252004Efficiency of Various Lattices from Hard Ball to Soft Ball: Theoretical Study of Thermodynamic Properties of Dendrimer Liquid Crystal from Atomistic SimulationLi, Y.; Lin, S.-T.; Goddard III, W.A.; SHIANG-TAI LIN Journal of the American Chemical Society 8584
2262004Thermodynamic stability of zimmerman self-assembled dendritic supramolecules from atomistic molecular dynamics simulationsLin, S.-T.; Jang, S.S.; ?a?m, T.; Goddard III, W.A.; SHIANG-TAI LIN Journal of Physical Chemistry B 11
2272004Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation modelLin, S.-T.; Chang, J.; Wang, S.; Goddard III, W.A.; S; ler, S.I.; SHIANG-TAI LIN Journal of Physical Chemistry A 114113
2282004Electronic and bonding structures of B-C-N thin films investigated by x-ray absorption and photoemission spectroscopyRay, S. C.; Tsai, H. M.; Bao, C. W.; Chiou, J. W.; Jan, J. C.; Kumar, K. P. K.; Pong, W. F.; Tsai, M. H.; Chattopadhyay, S.; Chen, L. C.; Chien, S. C.; Lee, M. T.; Lin, S. T.; Chen, K. H.; SHIANG-TAI LIN Journal of Applied Physics2220
2292004Factors affecting the significance of gravity on the infiltration of a liquid into a porous solidChan, T. Y.; Hsu, C. S.; Lin, S. T.; SHIANG-TAI LIN Journal of Porous Materials99
2302003Mechanical properties of amorphous boron carbon nitride films produced by dual gun sputteringChien, S. C.; Chattopadhyay, S.; Chen, L. C.; Lin, S. T.; Chen, K. H.; SHIANG-TAI LIN Diamond and Related Materials2828
2312003The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluidsLin, S.-T.; Blanco, M.; Goddard III, W.A.; SHIANG-TAI LIN Journal of Chemical Physics 343343
2322002Comments on "A priori phase equilibrium prediction from a segment contribution solvation model" (Multiple letters)Klamt, A.; Lin, S.-T.; S; ler, S.I.; SHIANG-TAI LIN Industrial and Engineering Chemistry Research 
2332002The use of quantum chemistry to predict phase behavior for environmental and process engineeringSandler, S.I.; Lin, S.-T.; Sum, A.K.; SHIANG-TAI LIN Fluid Phase Equilibria1716
2342002Reply to comments on "a priori phase equilibrium prediction from a segment contribution solvation model"Lin, S. T.; Sandler, S. I.; SHIANG-TAI LIN Industrial & Engineering Chemistry Research014
2352002Phase and thickness dependence of thermal diffusivity in a-SiCxNy and a-BCxNyChattopadhyay, S.; Chen, L. C.; Chien, S. C.; Lin, S. T.; Wu, C. T.; Chen, K. H.; SHIANG-TAI LIN Thin Solid Films43
2362002A priori phase equilibrium prediction from a segment contribution solvation modelSHIANG-TAI LIN Industrial and Engineering Chemistry Research 618576
2372002Henry's law constant of organic compounds in water from a group contribution model with multipole correctionsLin, S.-T.; S; ler, S.I.; SHIANG-TAI LIN Chemical Engineering Science 3936
2382002The use of quantum chemistry to predict phase behavior for environmental and process engineeringS; ler, S.I.; Lin, S.-T.; Sum, A.K.; SHIANG-TAI LIN Fluid Phase Equilibria 1716
2392002Bonding characterization, density measurement, and thermal diffusivity studies of amorphous silicon carbon nitride and boron carbon nitride thin filmsChattopadhyay, S.; Chen, L. C.; Chien, S. C.; Lin, S. T.; Chen, K. H.; SHIANG-TAI LIN Journal of Applied Physics1916
2402002The K value distribution of liquid phase sintered microstructuresLiu, P. L.; Lin, S. T.; SHIANG-TAI LIN Materials Transactions66
2412001Bonding characterization and nano-indentation study of the amorphous SiCxNy films with and without hydrogen incorporationLo, H. C.; Wu, J. J.; Wen, C. Y.; Wong, T. S.; Lin, S. T.; Chen, K. H.; Chen, L. C.; SHIANG-TAI LIN Diamond and Related Materials1415
2422001Growth of highly transparent nanocrystalline diamond films and a spectroscopic study of the growthChen, L. C.; Kichambare, P. D.; Chen, K. H.; Wu, J. J.; Yang, J. R.; Lin, S. T.; SHIANG-TAI LIN Journal of Applied Physics4540
2432001Some chemical engineering applications of quantum chemical calculationsS; ler, S.I.; Sum, A.K.; Lin, S.-T.; SHIANG-TAI LIN Advances in Chemical Engineering 
2442000Effect of carbon sources on silicon carbon nitride films growth in an electron cyclotron resonance plasma chemical vapor deposition reactorWu, J. J.; Chen, K. H.; Wen, C. Y.; Chen, L. C.; Guo, X. J.; Lo, H. J.; Lin, S. T.; Yu, Y. C.; Wang, C. W.; Lin, E. K.; SHIANG-TAI LIN Diamond and Related Materials1415
2452000Blind-hole residual stress determination using optical interferometryLin, S. T.; SHIANG-TAI LIN Experimental Mechanics118
2462000Multipole corrections to account for structure and proximity effects in group contribution methods: Octanol-water partition coefficientsLin, S.-T.; S; ler, S.I.; SHIANG-TAI LIN Journal of Physical Chemistry A 3229
2471999Infinite dilution activity coefficients from Ab initio solvation calculationsSHIANG-TAI LIN AIChE Journal 6760
2481999Quantum confinement effect in diamond nanocrystals studied by X-ray-absorption spectroscopyChang, Y. K.; Hsieh, H. H.; Pong, W. F.; Tsai, M. H.; Chien, F. Z.; Tseng, P. K.; Chen, L. C.; Wang, T. Y.; Chen, K. H.; Bhusari, D. M.; Yang, J. R.; Lin, S. T.; SHIANG-TAI LIN Physical Review Letters113113
2491999Ellipsometric study of carbon nitride thin films with and without silicon additionChen, L. C.; Lin, H. Y.; Wong, C. S.; Chen, K. H.; Lin, S. T.; Yu, Y. C.; Wang, C. W.; Lin, E. K.; Ling, K. C.; SHIANG-TAI LIN Diamond and Related Materials1818
2501999Prediction of octanol-water partition coefficients using a group contribution solvation modelSHIANG-TAI LIN Industrial and Engineering Chemistry Research 5047
2511998A general form for calculating residual stresses detected by using the holographic blind-hole methodLin, S. T.; Hsieh, C. T.; Lee, C. K.; SHIANG-TAI LIN Experimental Mechanics96
2521998Highly transparent nano-crystalline diamond films via substrate pretreatment and methane fraction optimizationChen, K. H.; Bhusari, D. M.; Yang, J. R.; Lin, S. T.; Wang, T. Y.; Chen, L. C.; SHIANG-TAI LIN Thin Solid Films3021
2531998Novel two stage method for growth of highly transparent nano-crystalline diamond filmsBhusari, D. M.; Yang, J. R.; Wang, T. Y.; Chen, K. H.; Lin, S. T.; Chen, L. C.; SHIANG-TAI LIN Materials Letters2623
2541998Highly transparent nano-crystalline diamond film's grown by microwave CVDBhusari, D. M.; Yang, J. R.; Wang, T. Y.; Lin, S. T.; Chen, K. H.; Chen, L. C.; SHIANG-TAI LIN Solid State Communications1310
2551998Effects of substrate pretreatment and methane fraction on the optical transparency of nanocrystalline diamond thin filmsBhusari, D. M.; Yang, J. R.; Wang, T. Y.; Chen, K. H.; Lin, S. T.; Chen, L. C.; SHIANG-TAI LIN Journal of Materials Research1916
2561997Mass spectra of substituted butenolidesLin, S. T.; Kuo, Y. H.; Wang, E. C.; Lin, W. C.; SHIANG-TAI LIN Journal of the Chinese Chemical Society11
2571997Electron impact mass spectra of some arylpyridinesLin, S. T.; Yang, F. M.; Liang, D.; Shiao, M. J.; SHIANG-TAI LIN Journal of the Chinese Chemical Society44
2581995Steric and Electronic Effects on Ligand Substitution of Cationic Carbonyl Nitrosyl Complexes of Molybdenum(o) Containing Bis(3,5-Dimethylpyrazol-1-Yl)methane-N,n'Shiu, Kb; Lin, St; Fung, Dw; Chan, Tj; Peng, Sm; Cheng, Mc; Chou, Jl; SHIANG-TAI LIN Inorganic Chemistry2620
2591995Synthesis and Structural Characterization of Some Molybdenum Carbonyl Nitrosyl Complexes of DiethyldithiocarbamateShiu, Kb; Lin, St; Peng, Sm; Cheng, Mc; SHIANG-TAI LIN Inorganica Chimica Acta1411
2601995Salt effect on wetting/nonwetting behaviorsChen, L.-J.; Hsu, M.-C.; Lin, S.-T.; Yang, S.-Y.; SHIANG-TAI LIN Journal of Physical Chemistry 1818
2611994Mass-Spectra of Substituted N-Alkylpyrroles and Related-CompoundsLin, St; Shiue, Gy; Kuo, Yh; Shih, Ks; SHIANG-TAI LIN Journal of the Chinese Chemical Society11
26219942 Holographic Blind-Hole Methods for Measuring Residual-StressesLin, St; Hsieh, Ct; Hu, Cp; SHIANG-TAI LIN Experimental Mechanics3528
2631991Mass-Spectra of 2-Alkyl-3-Hydroxypyridines and or 6-Alkyl-3-HydroxypyridinesLin, St; Tien, Ll; Kuo, Yh; Shih, Ks; SHIANG-TAI LIN Organic Mass Spectrometry33
2641990Electrical Characterization of the Insulating Property of Ta2o5 in Al-Ta2o5-Sio2-Si Capacitors by a Low-Frequency C/V TechniqueHwu, Jg; Lin, St; SHIANG-TAI LIN Iee Proceedings-G Circuits Devices and Systems010
2651983Ferric-Chloride Oxidation of IsoeugenolKuo, Yh; Lin, St; SHIANG-TAI LIN Experientia1212