Results 1-189 of 189 (Search time: 0.005 seconds).

Issue DateTitleAuthor(s)TypescopusWOSFulltext/Archive link
12019A new approach for developing exact local composition models for lattice fluidsLiu T.-C.; Lin S.-T. journal article00
22019Efficient 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 article00
32019Improvement 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.journal article00
42019Stable, 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.journal article10
52019Theory 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 Article00
62019Prediction and Reasoning for the Occurrence of Lower Critical Solution Temperature in Aqueous Solution of Ionic LiquidsTsai Y.-R.; Lin S.-T. Journal Article00
72018Prediction 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 article22
82018SkaSim ¡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.review22
92018Equilibrium and Transport Properties of Methane at the Methane/Water Interface with the Presence of SDSLin Z.-Y.; Wu D.T.; Lin S.-T. journal article11
102018Improved Directional Hydrogen Bonding Interactions for the Prediction of Activity Coefficients with COSMO-SACChang C.-K.; Chen W.-L.; Wu D.T.; Lin S.-T. journal article21
112018Fully Automated Molecular Design with Atomic Resolution for Desired Thermophysical PropertiesHsu H.-H.; Huang C.-H.; Lin S.-T. journal article21
122018Prediction of Gas and Liquid Solubility in Organic Polymers Based on the PR+COSMOSAC Equation of StateWang L.-H.; Hsieh C.-M.; Lin S.-T. journal article22
132018Measurements 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. journal article10
142017Comprehensive 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. journal article1213
152017The Origin of Ion-Pairing and Redissociation of Ionic LiquidLee B.-S.; Lin S.-T. journal article54
162017Water Vacancy Driven Diffusion in Clathrate Hydrates: Molecular Dynamics Simulation StudyLo H.; Lee M.-T.; Lin S.-T. journal article1010
172017Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculationsChen W.-L.; Lin S.-T. journal article22
182017Prediction and screening of solubility of pharmaceuticals in single- and mixed-ionic liquids using COSMO-SAC modelLee B.-S.; Lin S.-T. journal article75
192017Artificial Intelligence for Molecular DesignS.-T. Lin conference paper
202017Development 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. Chenconference paper
212017Molecular Dynamics Simulation for Defect Driven Phenomena: Diffusion of Guest Molecules & CO2-CH4 Replacement in ClathrateM.-T. Lee; H. Lo; S.-T. Lin conference paper
222017Coupled 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 conference paper
232017A 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. Vrabecconference paper
242017Atom-Based Computer-Aided Molecular Design with Genetic Algorithm and Simulated Annealing AlgorithmH.-H. Hsu; C.-H. Huang; S.-T. Lin conference paper
252017Mechanism of Gas Replacement in sI CH4-CO2 Hydrate System via Molecular Dynamics and Kinetic Monte Carlo SimulationL.-S. Chu; S.-T. Lin conference paper
262016Measurement 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, Muoiconference paper11
272016Prediction of pH Effect on the Octanol-Water Partition Coefficient of Ionizable PharmaceuticalsChen C.-S.; Lin S.-T. journal article88
282016A novel multiscale approach for rapid prediction of phase behaviors with consideration of molecular conformationsYang L.; Chang C.-W.; Lin S.-T. journal article44
292016A 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. journal article1311
302016Chain 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.journal article1511
312016A Novel Approach of Modeling Orientational Hydrogen Bonding Interactions in Associating Fluids with the COSMO-SAC ActivityW.-L. Chen; S.-T. Lin conference paper
322016Improved 2PT method for calculating thermodynamic properties from molecular dynamics simulationsM.-H. Lin; S.-T. Lin conference paper
332016Prediction of Gas Sorption Isotherms in Organic Polymer Systems by PR+COSMOSAC Equation of StateL.-H. Wang; S.-T. Lin conference paper
342016Mechanism for the Replacement of CH4 in Methane Hydrates with CO2 in the Solid PhaseH. Lo; S.-T. Lin conference paper
352016The Refinement of COSMO-SAC Model for Associating FluidsW.-L. Chen; S.-T. Lin conference paper
362016Reservoir Engineering Simulation for Gas Hydrate Recovery Offshore Southwest TaiwanS.-T. Lin conference paper
372016Molecular dynamics study on the nucleation of methane + tetrahydrofuran mixed guest hydrateWu J.-Y.; CHEN, L. J. ; CHEN, Y. P. ; Lin S.-T. journal article1614
382016Simultaneous Prediction of Dissociation and Phase Behaviors of Ionic Liquid SolutionsB.-S. Lee; S.-T. Lin conference paper
392015A Priori Prediction of Dissociation Phenomena and Phase Behaviors of Ionic LiquidsSHIANG-TAI LIN journal article1412
402015Rapid prediction of solvation free energy and vapor pressure of liquid and solid from molecular dynamics simulationSHIANG-TAI LIN journal article23
412015Inhibition effect of 1-ethyl-3-methylimidazolium chloride on methane hydrate equilibriumSHIANG-TAI LIN ; LI-JEN CHEN journal article74
422015Internal coordinate density of state from molecular dynamics simulationSHIANG-TAI LIN journal article33
432015Measurements for the equilibrium conditions of methane hydrate in the presence of cyclopentanone or 4-hydroxy-4-methyl-2-pentanone additivesSHIANG-TAI LIN ; LI-JEN CHEN journal article55
442015Improved Prediction of Vapor Pressure for Pure Liquids and Solids from the PR+COSMOSAC Equation of StateSHIANG-TAI LIN journal article99
452015Screening of ionic liquids for CO2 capture using the COSMO-SAC modelSHIANG-TAI LIN journal article3432
462015Theoretical 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. journal article911
472015Assessment of density functional methods for exciton binding energies and related optoelectronic propertiesLee J.-C.; Chai J.-D.; Lin S.-T. journal article2416
482015Molecular dynamics study on the equilibrium and kinetic properties of tetrahydrofuran clathrate hydratesWu J.-Y.; CHEN, L. J. ; Chen Y.-P. ; LIN, S. T. journal article1719
492015Improved COSMO-SAC for Polar Nonhydrogen Bonding SpeciesW.-L. Chen; S.-T. Lin conference paper
502015Can Molecular Dynamics Simulations Provide a Quantitative Description for the Rate of Methane Hydrate Dissociation?H. Lo; S.-T. Lin conference paper
512015Rapid Characterization and Validity Quantum Isotope Effect Between Light and Heavy Water through Two-Phase ThermodynamicsL. Yang; K.-Y. Yeh; S.-T. Lin conference paper
522015A Novel Multiscale Approach for Prediction of Thermodynamics Properties Based on Distribution of Molecular ConformationsL. Yang; C.-W. Chang; S.-T. Lin conference paper
532015First Principle Prediction of Equilibrium Constant of Esterification ReactionsC.-W. Chang; L. Yang; S.-T. Lin conference paper
542015Prediction of Vapor and Sublimation Pressure for Pure Compounds from the Modified PR+Cosmosac Equation of StateL.-H. Wang; S.-T. Lin conference paper
552015Nucleation of CH4+THF Mixed Guest Hydrate from Molecular Dynamic SimulationsJ.-Y. Wu; S.-T. Lin conference paper
562015From First Principles to Fluid Phase EquilibriaS.-T. Lin conference paper
572015Can Molecular Dynamics Simulations Provide a Quantitative Description for the Rate of Methane Hydrate Dissociation?H. Lo; S.-T. Lin conference paper
582015A Priori Prediction of Phase Behaviors of Ionic LiquidsB.-S. Lee; S.-T. Lin conference paper
592015Ion-Pairing and Redissociation of Ionic LiquidB.-S. Lee; S.-T. Lin conference paper
602015Nucleation and Growth of CH4+THF Mixed Guest Hydrates from Molecular Dynamic SimulationsJ.-Y. Wu; S.-T. Lin conference paper
612015Direct and Rapid Calculation of Entropy and Free Energy from Molecular Dynamics SimulationsS.-T. Lin conference paper
622015Replacement of CH4 in Methane Hydrates with CO2: Some Insights from Molecular Dynamics SimulationsS.-T. Lin conference paper
632014A priori prediction of the octanol-water partition coefficient (Kow) of ionic liquidsSHIANG-TAI LIN journal article1816
642014A predictive method for the solubility of drug in supercritical carbon dioxideSHIANG-TAI LIN journal article1414
652014Rapid determination of entropy for flexible molecules in condensed phase from the two-phase thermodynamic modelSHIANG-TAI LIN journal article54
662014Corrigendum 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.2014.01.032SHIANG-TAI LIN journal article21
672014Diffusive and quantum effects of water properties in different states of matterSHIANG-TAI LIN ; LI-JEN CHEN journal article22
682014A priori prediction of the vapor-liquid equilibria of mixtures of acetic acid and water or alcohols by explicit consideration of hydrogen-bonded dimersSHIANG-TAI LIN journal article32
692014Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behaviorSHIANG-TAI LIN journal article1415
702014First Principle Prediction of Equilibrium Constant of Esterification ReactionsP.-C. Yu; S.-T. Lin conference paper
712014Recent Advances in 2pt Theory for Fast Calculation of Material Entropy and Free EnergyS.-T. Lin conference paper
722014Molecular Dynamics Simulation for Quantitative Description of Thermodynamic Properties of Methane HydratesH.-I. Chao; S. Luo; S.-T. Lin conference paper
732014The Force Field Investigation for Accurate Thermodynamic Properties of Ch4-Thf HydratesJ.-Y. Wu; S.-T. Lin conference paper
742014A New Force Field for Accurate Thermodynamic Properties of Ch4-Thf HydratesJ.-Y. Wu; S.-T. Lin conference paper
752014A Predictive Model to the Drug Solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin conference paper
762014A Prior Prediction of the Phase Behavior of Acetic Acid and Its Mixture by Explicit Consideration of Hydrogen Bonded DimersW.-L. Chen; S.-T. Lin conference paper
772014Calculation of Thermodynamic Properties of Structure I Methane Hydrate from Molecular Dynamics SimulationsK.-Y. Yeh; S.-T. Lin ; L.-J. Chenconference paper
782014Molecular Dynamics Simulation for Quantitative Description of Thermodynamic Properties of Methane HydratesH.-I. Chao; S. Luo; S.-T. Lin conference paper
792013Prediction of phase behaviors of ionic liquids over a wide range of conditionsSHIANG-TAI LIN journal article1312
802013Prediction of phase equilibrium of methane hydrates in the presence of ionic liquidsSHIANG-TAI LIN ; LI-JEN CHEN journal article1312
812013Prediction of phase behaviors of acetic acid containing fluidsSHIANG-TAI LIN journal article77
822013Measurements for the dissociation conditions of methane hydrate in the presence of 2,5-dihydrofuran and 3,4-dihydro-2H-pyranSHIANG-TAI LIN ; LI-JEN CHEN journal article43
832013Prediction of phase behaviors of polymer-solvent mixtures from the COSMO-SAC activity coefficient modelSHIANG-TAI LIN journal article1010
842013Prediction 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 modelSHIANG-TAI LIN ; LI-JEN CHEN journal article10
852013Fluid-phase coexistence for the oxidation of CO2 expanded cyclohexane: Experiment, molecular simulation, and COSMO-SACSHIANG-TAI LIN journal article55
862013Band gap engineering via controlling donor-acceptor compositions in conjugated copolymersSHIANG-TAI LIN ; CHI-YANG CHAO ; WEI-FANG SU journal article108
872013Fluid phase coexistence for the oxidation of cyclohexane in CO2 expanded liquids: COSMO-SAC vs. molecular simulationSHIANG-TAI LIN other00
882013Application of COSMO-SAC and Molecular Simulation to An Industrially Important Pentenary SystemC.-M. Hsieh; T. Merker; S.-T. Lin ; H. Hasse,; J. Vrabecconference paper
892013Growth of Tetrahydrofuran (THF) Clathrate Hydrates: A Molecular Dynamics StudyJ.-Y. Wu; S.-T. Lin conference paper
902013Theoretical Study on the Surface Modified TiO2:P3HT Hybrid Solar CellsY.-H. Li; S.-T. Lin conference paper
912013Prediction of Phase Behavior of Strongly Associating Fluids By Explicit Consideration of Transitions in Local Fluid StructuresW.-L. Chen; C.-C. Hsu; S.-T. Lin conference paper
922013Simultaneous Modeling of the Vapor-Liquid and Liquid-Liquid Equilibria of Fluids Containing Acetic AcidW.-L. Chen; S.-T. Lin conference paper
932013Primary Nucleation of Methane Hydrates via Molecular Dynamics SimulationH.-H. Ma; S.-T. Lin conference paper
942013Measurements of the Dissociation Conditions of Gas Hydrates in the Presence of Hydrocarbon AdditivesY.-P. Chen; L.-J. Chen; S.-T. Lin ; M. Tangconference paper
952013Theoretical Study on Resistive Memory Devices based on PolyimidesL.-C. Chan; S.-T. Lin conference paper
962013Prediction of the drug solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin conference paper
972013Growth of Tetrahydrofuran (THF) Clathrate Hydrates: A Molecular Dynamics StudyJ.-Y. Wu; S.-T. Lin conference paper
982013Prediction of Drug Solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin conference paper
992013Band Gap Engineering on Conjugated Polymers for High Efficiency Organic Solar CellsY.-C. Hung; S.-T. Lin conference paper
1002013Growth of Tetrahydrofuran (THF) Clathrate Hydrates: A Molecular Dynamics StudyJ.-Y. Wu; S.-T. Lin conference paper
1012013Effect 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. Chenconference paper
1022013A Predictive Model to the Drug Solubility in Supercritical Carbon DioxideL.-H. Wang; S.-T. Lin conference paper
1032013Primary Nucleation of Methane Hydrates via Molecular Dynamics SimulationH.-H. Ma; S.-T. Lin conference paper
1042013Understanding the Role of Dispersive Interactions in the COSMO-SAC ModelC.-M. Hsieh; S.-T. Lin ; J. Vrabecconference paper
1052013Prediction of Phase Behaviors of Ionic Liquids Over a Wide Range of ConditionsB.-S. Lee; S.-T. Lin conference paper
1062012Predictive method for the change in equilibrium conditions of gas hydrates with addition of inhibitors and electrolytesSHIANG-TAI LIN ; LI-JEN CHEN journal article1918
1072012Molecular dynamics study on the growth of structure i methane hydrate in aqueous solution of sodium chlorideSHIANG-TAI LIN ; LI-JEN CHEN journal article2626
1082012Explicit pressure dependence of the Langmuir adsorption constant in the van der Waals-Platteeuw model for the equilibrium conditions of clathrate hydratesSHIANG-TAI LIN ; LI-JEN CHEN journal article1412
1092012Stability of positively charged solutes in water: A transition from hydrophobic to hydrophilicSHIANG-TAI LIN journal article66
1102012Prediction of phase behaviors of strong association systems by PR+cosmosac equation of stateSHIANG-TAI LIN conference paper
1112012Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic modelSHIANG-TAI LIN journal article2121
1122012First-principles prediction of phase equilibria using the PR + COSMOSAC equation of stateSHIANG-TAI LIN journal article129
1132012The role of long-range interactions in the phase behavior of ionic liquidsSHIANG-TAI LIN journal article87
1142012Theoretical investigation of the metal-doped SrTiO 3 photocatalysts for water splittingSHIANG-TAI LIN ; JEFFREY CHI-SHENG WU journal article7372
1152012Band structure engineering for low band gap polymers containing thienopyrazineSHIANG-TAI LIN ; Chao, Chi-Yang ; CHI-YANG CHAO ; Chao, Chung-Hsiang; CHING-FUH LIN ; Chen, Lung-Pin; Hung, Ying-Chieh; WEI-FANG SU ; Lin, Shiang-Tai ; Su, Wei-Fang ; Lin, Ching-Fuh journal article1211
1162012Effect of mixing rule boundary conditions on high pressure (liquid + liquid) equilibrium predictionSHIANG-TAI LIN journal article55
1172011Thermodynamic Properties and Fluid Phase Equilibria without Experimental MeasurementsLIN SHIANG-TAI ; C.M. Hsiehbook chapter
1182011New donor-acceptor oligoimides for high-performance nonvolatile memory devicesSHIANG-TAI LIN ; WEN-CHANG CHEN journal article7775
1192011First-principles prediction of vapor-liquid-liquid equilibrium from the PR+COSMOSAC equation of stateSHIANG-TAI LIN journal article1111
1202011Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC modelSHIANG-TAI LIN journal article1314
1212011Employing an amphiphilic interfacial modifier to enhance the performance of a poly(3-hexyl thiophene)/TiO2 hybrid solar cellHuang, 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 article5148
1222011A special tribute to Stan Sandler: The reach and impact of a life-long dedication to the chemical engineering professionSHIANG-TAI LIN journal article00
1232011Band structure engineering for low band gap polymers based on 3-hexylthiophene and thienopyrazineSHIANG-TAI LIN conference paper
1242011Thermodynamics of liquids: Standard molar entropies and heat capacities of common solvents from 2PT molecular dynamicsSHIANG-TAI LIN journal article7370
1252011Marching into molecular designSHIANG-TAI LIN journal article22
1262011A predictive model for the solubility and octanol-water partition coefficient of pharmaceuticalsSHIANG-TAI LIN journal article2422
1272011Absolute entropy and energy of carbon dioxide using the two-phase thermodynamic modelSHIANG-TAI LIN journal article3028
1282011In situ methane recovery and carbon dioxide sequestration in methane hydrates: A molecular dynamics simulation studySHIANG-TAI LIN ; LI-JEN CHEN journal article3630
1292011Band structure engineering for low band gap polymers based on 3-hexylthiophene and thienopyrazineSHIANG-TAI LIN journal article
1302011Prediction of drug solubility in mixed solvent systems using the COSMO-SAC activity coefficient modelSHIANG-TAI LIN journal article1616
1312011Growth of structure i carbon dioxide hydrate from molecular dynamics simulationsSHIANG-TAI LIN ; LI-JEN CHEN journal article420
1322011A priori predictions of critical loci from the combined use of PRSV equation of state and the COSMO-SAC model through the MHV1 mixing ruleSHIANG-TAI LIN journal article22
1332011Measurements for the dissociation conditions of methane hydrate in the presence of 1,3,5-trioxane and oxolan-2-ylmethanolSHIANG-TAI LIN ; LI-JEN CHEN journal article66
1342011A predictive model for the excess gibbs free energy of fully dissociated electrolyte solutionsSHIANG-TAI LIN journal article2220
1352011Thermodynamics of water entry in hydrophobic channels of carbon nanotubesSHIANG-TAI LIN journal article5758
1362010Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulationsSHIANG-TAI LIN journal article146142
1372010The growth of structure i methane hydrate from molecular dynamics simulationsSHIANG-TAI LIN ; LI-JEN CHEN journal article6461
1382010Prediction of liquid-liquid equilibrium from the Peng-Robinson+COSMOSAC equation of stateSHIANG-TAI LIN journal article2525
1392010Measurements for the dissociation conditions of methane hydrate in the presence of 2-Methyl-2-propanolSHIANG-TAI LIN ; LI-JEN CHEN journal article88
1402010Improvements of COSMO-SAC for vapor-liquid and liquid-liquid equilibrium predictionsSHIANG-TAI LIN journal article116113
1412010Entropy and dynamics of water in hydration layers of a bilayerSHIANG-TAI LIN journal article4544
1422009Theoretical study on the correlation between band gap, bandwidth, and oscillator strength in fluorene-based donor-acceptor conjugated copolymersSHIANG-TAI LIN ; CHI-YANG CHAO ; WEI-FANG SU journal article5852
1432009Towards the development of theoretically correct liquid activity coefficient modelsLee, Yungling Leo; Lin, ST; SHIANG-TAI LIN ; Hsieh, MK; Yen, Jeffrey Jong-Young; Hsu, Li-Chung ; Hsieh, CM; Kuo, Nai-Wei; Hsu, CC; Su, Ming-Wei; Yang, Ming-Fong; Hsiao, Yu-Ping; Wang, I-Jen; Liu, Fu-Tong; 李永凌 ; 徐立中 journal article1212
1442009Synthesis and characterization of low bandgap copolymers based on lndenofluorene and thiophene derivativeSHIANG-TAI LIN ; Yen, WC; Pal, B; CHI-YANG CHAO ; Yang, JS; WEI-FANG SU ; JYE-SHANE YANG ; Hung, YC; Lin, ST; Chao, CY; Su, WFjournal article3332
1452009Reply to "Comment on "Towards the development of theoretically correct liquid activity coefficient models""SHIANG-TAI LIN journal article00
1462009Prediction of 1-octanol-water partition coefficient and infinite dilution activity coefficient in water from the PR + COSMOSAC modelSHIANG-TAI LIN journal article2120
1472009Use of GAMESS/COSMO program in support of COSMO-SAC model applications in phase equilibrium prediction calculationsWang, S; SHIANG-TAI LIN ; Lin, ST; Watanasiri, S; Chen, CCjournal article1313
1482009First-principles predictions of vapor-liquid equilibria for pure and mixture fluids from the combined use of cubic equations of state and solvation calculationsSHIANG-TAI LIN journal article3333
1492009Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulationsSHIANG-TAI LIN journal article22
1502008Reply to "comments on 'refinement of COSMO - SAC and the applications"SHIANG-TAI LIN journal article11
1512008Determination of cubic equation of state parameters for pure and mixture fluids from first principle solvation calculationsSHIANG-TAI LIN journal article
1522008Improper matching of solvation energy components in Gex-based mixing rulesLin, Shiang-Tai ; SHIANG-TAI LIN ; Hsieh, Meng-Tingjournal article1111
1532008Determination of cubic equation of state parameters for pure fluids from first principle solvation calculationsSHIANG-TAI LIN journal article2929
1542008Stress-induced crystallization of poly(Trimethylene Terephthalate) fibers by molecular dynamic simulationsSHIANG-TAI LIN conference paper
1552008Stress-induced crystallization of poly(Trimethylene Terephthalate) fibers by molecular dynamic simulationsSHIANG-TAI LIN journal article
1562008Determination of cubic equation of state parameters for pure and mixture fluids from first principle solvation calculationsSHIANG-TAI LIN conference paper
1572008Substituent 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 journal article6162
1582007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 report
1592007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 report
1602007Prediction 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 journal article
1612007Molecular dynamic simulations of polymer crystallization at the early stageSHIANG-TAI LIN conference paper
1622007Solvation and chemical engineering thermodynamicsLin, Shiang-Tai ; SHIANG-TAI LIN ; Hsieh, Chieh-Ming; Lee, Ming-Tsung journal article2423
1632007Prediction 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 ruleSHIANG-TAI LIN journal article3129
1642007Molecular dynamic simulations of polymer crystallization at the early stageSHIANG-TAI LIN journal article
1652006Application 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.journal article2723
1662006Entropy 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, Bimanjournal article6466
1672006Thermodynamic equations of state from molecular solvationSHIANG-TAI LIN ; Lin, Shiang-Tai journal article910
1682006Efficient and accurate solvation energy calculation from polarizable continuum modelsLin, Shiang-Tai ; SHIANG-TAI LIN ; Hsieh, Chieh-Mingjournal article1920
1692006Reply to the comment on "application of the COSMO-SAC-BP solvation model to predictions of normal boiling temperatures for environmentally significant substances"SHIANG-TAI LIN journal article11
1702005淺談電腦分子模擬在化學工程之應用林祥泰 journal article
1712005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 report
1722005Effect of solvent and pH on the structure of PAMAM dendrimersSHIANG-TAI LIN journal article308294
1732005Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scalesSHIANG-TAI LIN journal article119117
1742005Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Fréchet polyaryl ethereal dendrimer and linear PTFESHIANG-TAI LIN journal article5550
1752004Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation modelSHIANG-TAI LIN journal article8682
1762004Erratum: A Priori Phase Equilibrium Prediction from a Segment Contribution Solvation Model (Industrial and Engineering Chemistry Research 41, 5 (903))SHIANG-TAI LIN journal article
1772004Molecular dynamics study of a surfactant-mediated decane-water interface: Effect of molecular architecture of alkyl benzene sulfonateSHIANG-TAI LIN journal article155137
1782004Thermodynamic stability of zimmerman self-assembled dendritic supramolecules from atomistic molecular dynamics simulationsSHIANG-TAI LIN journal article
1792004Efficiency of Various Lattices from Hard Ball to Soft Ball: Theoretical Study of Thermodynamic Properties of Dendrimer Liquid Crystal from Atomistic SimulationSHIANG-TAI LIN journal article
1802003The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluidsSHIANG-TAI LIN journal article220218
1812002Henry's law constant of organic compounds in water from a group contribution model with multipole correctionsSHIANG-TAI LIN journal article3230
1822002Comments on "A priori phase equilibrium prediction from a segment contribution solvation model" (Multiple letters)SHIANG-TAI LIN journal article
1832002A priori phase equilibrium prediction from a segment contribution solvation modelSHIANG-TAI LIN journal article
1842002The use of quantum chemistry to predict phase behavior for environmental and process engineeringSHIANG-TAI LIN journal article1615
1852001Some chemical engineering applications of quantum chemical calculationsSHIANG-TAI LIN book
1862000Multipole corrections to account for structure and proximity effects in group contribution methods: Octanol-water partition coefficientsSHIANG-TAI LIN journal article3129
1871999Infinite dilution activity coefficients from Ab initio solvation calculationsSHIANG-TAI LIN journal article
1881999Prediction of octanol-water partition coefficients using a group contribution solvation modelSHIANG-TAI LIN journal article
1891995Salt effect on wetting/nonwetting behaviorsSHIANG-TAI LIN journal article