Shiang‐Tai Lin

发表

Entropy of water in the hydration layer of major and minor grooves of DNA.

B. Bagchi, J. Hynes, S. Pal, 2006, The journal of physical chemistry. B.

Assessment of density functional methods for exciton binding energies and related optoelectronic properties

Jeng-Da Chai, Shiang‐Tai Lin, Jui-Che Lee, 2015, 1508.07396.

Henry's law constant of organic compounds in water from a group contribution model with multipole corrections

S. Sandler, Shiang‐Tai Lin, 2002 .

The Origin of Ion-Pairing and Redissociation of Ionic Liquid.

Bong-Seop Lee, Shiang‐Tai Lin, 2017, The journal of physical chemistry. B.

The role of long-range interactions in the phase behavior of ionic liquids.

Bong-Seop Lee, Shiang‐Tai Lin, 2012, Physical chemistry chemical physics : PCCP.

Synthesis and characterization of low bandgap copolymers based on indenofluorene and thiophene derivative

W. Su, Jye‐Shane Yang, C. Chao, 2009 .

Band gap engineering via controlling donor-acceptor compositions in conjugated copolymers.

W. Su, C. Dai, C. Chao, 2013, The journal of physical chemistry. B.

Modeling of phase separation solvent for CO2 capture using COSMO-SAC model

H. Machida, Y. Shimoyama, Chieh-Ming Hsieh, 2022, Journal of the Taiwan Institute of Chemical Engineers.

Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model.

Prabal K Maiti, William A Goddard, W. Goddard, 2011, Journal of chemical theory and computation.

Thermodynamics of water entry in hydrophobic channels of carbon nanotubes.

C. Dasgupta, H. Kumar, A. Sood, 2011, The Journal of chemical physics.

Prediction and Screening of Solubility of Pharmaceuticals in Single‐ and Mixed‐Ionic Liquids using COSMO‐SAC model

Bong-Seop Lee, Shiang‐Tai Lin, 2017 .

Substituent Effect on the Optoelectronic Properties of Alternating Fluorene−Cyclopentadithiophene Copolymers

W. Su, Jye‐Shane Yang, Chun-Wei Chen, 2008 .

Improved Directional Hydrogen Bonding Interactions for the Prediction of Activity Coefficients with COSMO-SAC

David T Wu, Wei-Lin Chen, Chun-Kai Chang, 2018, Industrial & Engineering Chemistry Research.

Molecular Dynamics Study on the Equilibrium and Kinetic Properties of Tetrahydrofuran Clathrate Hydrates

Jyun-Yi Wu, Li-Jen Chen, Yan-Ping Chen, 2015 .

Chain length effect of ionic liquid 1-alkyl-3-methylimidazolium chloride on the phase equilibrium of methane hydrate

Li-Jen Chen, Po-Chun Chen, Yan-Ping Chen, 2016 .

Inhibition effect of 1-ethyl-3-methylimidazolium chloride on methane hydrate equilibrium

Li-Jen Chen, Po-Chun Chen, Yan-Ping Chen, 2015 .

Prediction of Phase Equilibrium of Methane Hydrates in the Presence of Ionic Liquids

Li-Jen Chen, Po-Chun Chen, Yan-Ping Chen, 2013 .

PREDICTION OF GAS HYDRATE PHASE BEHAVIOR IN THE PRESENCE OF ALCOLHOLS AND GLYCOLS WITH PRSV EQUATION OF STATE AND THE VDW-P MODEL

Li-Jen Chen, Min-Kang Hsieh, Yan-Ping Chen, 2011 .

Solvation and chemical engineering thermodynamics

Chieh-Ming Hsieh, Ming-Tsung Lee, Shiang‐Tai Lin, 2007 .

Efficiency of various lattices from hard ball to soft ball: theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulation.

W. Goddard, Youyong Li, Shiang‐Tai Lin, 2004, Journal of the American Chemical Society.

Towards design of phase separation solvent for CO2 capture using COSMO-SAC model

H. Machida, Y. Shimoyama, Chieh-Ming Hsieh, 2021 .

Prediction and Reasoning for the Occurrence of Lower Critical Solution Temperature in Aqueous Solution of Ionic Liquids

Shiang‐Tai Lin, Y. Tsai, 2019, Industrial & Engineering Chemistry Research.

A Critical Evaluation on the Performance of COSMO-SAC Models for Vapor–Liquid and Liquid–Liquid Equilibrium Predictions Based on Different Quantum Chemical Calculations

Wei-Lin Chen, Chieh-Ming Hsieh, Li Yang, 2016 .

A Priori Prediction of Dissociation Phenomena and Phase Behaviors of Ionic Liquids

Bong-Seop Lee, Shiang‐Tai Lin, 2015 .

Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions

Stanley I. Sandler, Chieh-Ming Hsieh, S. Sandler, 2010 .

Theoretical study on the correlation between band gap, bandwidth, and oscillator strength in fluorene-based donor-acceptor conjugated copolymers.

Chi-Yang Chao, Wei-Fang Su, W. Su, 2009, The journal of physical chemistry. B.

A Predictive Model for the Solubility and Octanol-Water Partition Coefficient of Pharmaceuticals

S. Sandler, Chieh-Ming Hsieh, Shu Wang, 2011 .

Prediction of Phase Behaviors of Polymer–Solvent Mixtures from the COSMO-SAC Activity Coefficient Model

Yu-Ching Kuo, Chan-Chia Hsu, Shiang‐Tai Lin, 2013 .

Some chemical engineering applications of quantum chemical calculations

Stanley I. Sandler, Amadeu K. Sum, A. Sum, 2001 .

Phase Equilibrium Modeling of Mixtures Containing Conformationally Flexible Molecules with the COSMO-SAC Model

H. Machida, Y. Shimoyama, Chieh-Ming Hsieh, 2022, Journal of Molecular Liquids.

Infinite dilution activity coefficients from ab initio solvation calculations

S. Sandler, Shiang‐Tai Lin, 1999 .

A predictive model for the excess gibbs free energy of fully dissociated electrolyte solutions

Meng-Ting Hsieh, Shiang-Tai Lin, Meng-Ting Hsieh, 2011 .

A priori predictions of critical loci from the combined use of PRSV equation of state and the COSMO

D. Wong, Ming-Tsung Lee, Meng-Ting Hsieh, 2011 .

Effect of mixing rule boundary conditions on high pressure (liquid + liquid) equilibrium prediction

Shiang-Tai Lin, Min-Kang Hsieh, Shiang‐Tai Lin, 2012 .

Prediction 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 rule

Ming-Tsung Lee, Shiang‐Tai Lin, 2007 .

Efficient and accurate solvation energy calculation from polarizable continuum models.

Shiang-Tai Lin, Chieh-Ming Hsieh, Shiang‐Tai Lin, 2006, The Journal of chemical physics.

Prediction of Vapor Pressures and Enthalpies of Vaporization Using a COSMO Solvation Model

William A. Goddard, Stanley I. Sandler, W. Goddard, 2004 .

Prediction of solid-liquid-gas equilibrium for binary mixtures of carbon dioxide + organic compounds from approaches based on the COSMO-SAC model

Chieh-Ming Hsieh, Chong Chen, Shiang‐Tai Lin, 2017 .

First‐principles prediction of phase equilibria using the PR + COSMOSAC equation of state

Chieh-Ming Hsieh, Shiang‐Tai Lin, 2012 .

Prediction of liquid–liquid equilibrium from the Peng–Robinson+COSMOSAC equation of state

Chieh-Ming Hsieh, Shiang‐Tai Lin, 2010 .

Prediction of 1-octanol–water partition coefficient and infinite dilution activity coefficient in water from the PR + COSMOSAC model

Chieh-Ming Hsieh, Shiang‐Tai Lin, 2009 .

Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics.

W. Goddard, T. Pascal, Shiang‐Tai Lin, 2011, Physical chemistry chemical physics : PCCP.

The use of quantum chemistry to predict phase behavior for environmental and process engineering

Stanley I. Sandler, Amadeu K. Sum, A. Sum, 2002 .

A Benchmark Open-Source Implementation of COSMO-SAC.

Jadran Vrabec, Cornelia Breitkopf, Ian H Bell, 2020, Journal of chemical theory and computation.

Fluid‐phase coexistence for the oxidation of CO2 expanded cyclohexane: Experiment, molecular simulation, and COSMO‐SAC

H. Hasse, J. Vrabec, Chieh-Ming Hsieh, 2013 .

Prediction of phase behaviors of acetic acid containing fluids

Wei-Lin Chen, Chan-Chia Hsu, Shiang‐Tai Lin, 2013 .

Effect of Solvent and pH on the Structure of PAMAM Dendrimers

W. Goddard, T. Çagin, P. Maiti, 2005 .

A novel multiscale approach for rapid prediction of phase behaviors with consideration of molecular conformations

Chih-Wei Chang, Li Yang, Shiang‐Tai Lin, 2016 .

Theoretical Investigation of the Metal-Doped SrTiO3 Photocatalysts for Water Splitting

J. Wu, Chao‐Wei Huang, Hsin‐Chieh Chen, 2012 .

Prediction of Gas and Liquid Solubility in Organic Polymers Based on the PR+COSMOSAC Equation of State

Chieh-Ming Hsieh, Shiang‐Tai Lin, Li-Hsin Wang, 2018, Industrial & Engineering Chemistry Research.

The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids

William A. Goddard, Mario Blanco, W. Goddard, 2003 .

Prediction 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 model

Shiang-Tai Lin, Li-Jen Chen, Po-Chun Chen, 2013 .

Predictive Method for the Change in Equilibrium Conditions of Gas Hydrates with Addition of Inhibitors and Electrolytes

Shiang-Tai Lin, Li-Jen Chen, Po-Chun Chen, 2012 .

Effect of Small Cage Guests on Dissociation Properties of Tetrahydrofuran Hydrates.

Kuang-Yu Chang, Li-Jen Chen, Yan-Ping Chen, 2020, The journal of physical chemistry. B.

LOWER COST METHODS FOR IMPROVED OIL RECOVERY (IOR) VIA SURFACTANT FLOODING

W. Goddard, S. Jang, S. Iglauer, 2004 .

Molecular Dynamics Study of a Surfactant-Mediated Decane-Water Interface: Effect of Molecular Architecture of Alkyl Benzene Sulfonate

W. Goddard, S. Jang, Shiang-Tai Lin, 2004 .

A Special Tribute to Stan Sandler: The Reach and Impact of a Life-Long Dedication to the Chemical Engineering Profession

J. Prausnitz, A. Sum, Shiang‐Tai Lin, 2011 .

First-principles prediction of solid solute solubility in supercritical carbon dioxide using PR+COSMOSAC EOS

Wei-Lin Chen, Chieh-Ming Hsieh, Shiang‐Tai Lin, 2020 .

Measurements of diffusion coefficient of methane in water/brine under high pressure

Li-Jen Chen, Yan-Ping Chen, Yen-An Chen, 2018 .

Screening of ionic liquids for CO2 capture using the COSMO-SAC model

Bong-Seop Lee, Shiang-Tai Lin, Bong-Seop Lee, 2015 .

Prediction of phase behaviors of ionic liquids over a wide range of conditions

Shiang-Tai Lin, Bong-Seop Lee, Shiang‐Tai Lin, 2013 .

Molecular dynamics study on the growth of structure I methane hydrate in aqueous solution of sodium chloride.

Shiang-Tai Lin, Li-Jen Chen, Yan-Ping Chen, 2012, The journal of physical chemistry. B.

In situ methane recovery and carbon dioxide sequestration in methane hydrates: a molecular dynamics simulation study.

Li-Jen Chen, Yan-Ping Chen, Yen-Tien Tung, 2011, The journal of physical chemistry. B.

Growth of Structure I Carbon Dioxide Hydrate from Molecular Dynamics Simulations

Li-Jen Chen, Yan-Ping Chen, Yen-Tien Tung, 2011 .

Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales.

W. Goddard, P. Maiti, Shiang‐Tai Lin, 2005, The journal of physical chemistry. B.

Assessing the role of Hartree‐Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory

Shiang-Tai Lin, Talapunur Vikramaditya, T. Vikramaditya, 2017, J. Comput. Chem..

Explicit pressure dependence of the Langmuir adsorption constant in the van der Waals–Platteeuw model for the equilibrium conditions of clathrate hydrates

Shiang-Tai Lin, Li-Jen Chen, Po-Chun Chen, 2012 .

Screening of CO2 utilization routes from process simulation: Design, optimization, environmental and techno-economic analysis

Bor-Yih Yu, Shiang‐Tai Lin, Cheng-Ting Lee, 2021, Journal of CO2 Utilization.

Evaluating the direct CO2 to diethyl carbonate (DEC) process: Rigorous simulation, techno-economical and environmental evaluation

Bor-Yih Yu, Shiang‐Tai Lin, Pei-Jhen Wu, 2020 .

Measurements for the equilibrium conditions of methane hydrate in the presence of cyclopentanone or 4-hydroxy-4-methyl-2-pentanone additives

Li-Jen Chen, Po-Chun Chen, Yan-Ping Chen, 2015 .

Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange

Shiang-Tai Lin, Talapunur Vikramaditya, T. Vikramaditya, 2019, J. Comput. Chem..

Impact of non‐empirically tuning the range‐separation parameter of long‐range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps

Shiang-Tai Lin, Talapunur Vikramaditya, Jeng-Da Chai, 2018, J. Comput. Chem..

New Data Structure for Computational Molecular Design with Atomic or Fragment Resolution

Shiang-Tai Lin, Hsuan-Hao Hsu, Chen-Hsuan Huang, 2019, J. Chem. Inf. Model..

Fully Automated Molecular Design with Atomic Resolution for Desired Thermophysical Properties

Shiang-Tai Lin, Hsuan-Hao Hsu, Chen-Hsuan Huang, 2018, Industrial & Engineering Chemistry Research.

A predictive method for the solubility of drug in supercritical carbon dioxide

Shiang‐Tai Lin, Li-Hsin Wang, 2014 .

Early structural development in melt-quenched polymer PTT from atomistic molecular dynamic simulations

Shiang-Tai Lin, Min-Kang Hsieh, Shiang‐Tai Lin, 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

New Donor–Acceptor Oligoimides for High-Performance Nonvolatile Memory Devices

Tadanori Kurosawa, Wen‐Chang Chen, Tomoya Higashihara, 2011 .

Stable, color-tunable 2D SCN-based perovskites: revealing the critical influence of an asymmetric pseudo-halide on constituent ions.

Chu‐Chen Chueh, Yu-An Su, Chia-Hsin Li, 2019, Nanoscale.

Band structure engineering for low band gap polymers containing thienopyrazine

W. Su, Shiang-Tai Lin, C. Chao, 2012 .

First-Principles Predictions of Vapor−Liquid Equilibria for Pure and Mixture Fluids from the Combined Use of Cubic Equations of State and Solvation Calculations

Chieh-Ming Hsieh, Shiang‐Tai Lin, 2009 .

Nanophase segregation and water dynamics in the dendrion diblock copolymer formed from the Fréchet polyaryl ethereal dendrimer and linear PTFE.

W. Goddard, S. Jang, T. Çagin, 2005, Journal of Physical Chemistry B.

Thermodynamic Stability of Zimmerman Self-Assembled Dendritic Supramolecules from Atomistic Molecular Dynamics Simulations

W. Goddard, S. Jang, T. Çagin, 2004 .

Considering the dispersive interactions in the COSMO-SAC model for more accurate predictions of fluid phase behavior

J. Vrabec, Chieh-Ming Hsieh, Shiang‐Tai Lin, 2014 .

Unveiling the mechanism of CO2-driven phase change in amine + water + glycol ether ternary mixture

H. Machida, Y. Shimoyama, Chieh-Ming Hsieh, 2021, Journal of the Taiwan Institute of Chemical Engineers.

Measurements for the Dissociation Conditions of Methane Hydrate in the Presence of 2-Methyl-2-propanol

Li-Jen Chen, Yan-Ping Chen, Shiang‐Tai Lin, 2010 .

Theoretical study on the torsional potential of alkyl, donor, and acceptor substituted bithiophene: the hidden role of noncovalent interaction and backbone conjugation.

Tzu-Jen Lin, Shiang‐Tai Lin, 2015, Physical chemistry chemical physics : PCCP.

Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic.

W. Goddard, Yousung Jung, T. Pascal, 2012, The journal of physical chemistry letters.

Integration of modern computational chemistry and ASPEN PLUS for chemical process design

Shiang-Tai Lin, Chang‐Che Tsai, Shiang‐Tai Lin, 2020 .

Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations.

W. Goddard, Shiang-Tai Lin, P. K. Maiti, 2010, The journal of physical chemistry. B.

Diffusive and quantum effects of water properties in different states of matter.

Li-Jen Chen, S. Huang, Shiang‐Tai Lin, 2014, The Journal of chemical physics.

Employing an amphiphilic interfacial modifier to enhance the performance of a poly(3-hexyl thiophene)/TiO2 hybrid solar cell

J. Hsu, W. Su, S. Li, 2011 .

Molecular Dynamics Study on the Growth Mechanism of Methane plus Tetrahydrofuran Mixed Hydrates

Jyun-Yi Wu, Li-Jen Chen, Yan-Ping Chen, 2015 .

The growth of structure I methane hydrate from molecular dynamics simulations.

Li-Jen Chen, Yan-Ping Chen, Yen-Tien Tung, 2010, The journal of physical chemistry. B.

Entropy and dynamics of water in hydration layers of a bilayer.

K. Ayappa, Biswaroop Mukherjee, A. Debnath, 2010, The Journal of chemical physics.

A Robust and Automated Approach for the Calculation of Absolute Entropy from the Two-Phase Thermodynamic Model with Gaussian Memory Function

Shiang‐Tai Lin, Minghong Lin, 2021 .

Improved Prediction of Phase Behaviors of Ionic Liquid Solutions with the Consideration of Directional Hydrogen Bonding Interactions

Chun-Kai Chang, Shiang‐Tai Lin, 2020 .

Application of the COSMO−SAC−BP Solvation Model to Predictions of Normal Boiling Temperatures for Environmentally Significant Substances

W. Goddard, S. Sandler, Shu Wang, 2006 .

A new approach for developing exact local composition models for lattice fluids

Te-Chien Liu, Shiang‐Tai Lin, 2019, Journal of the Taiwan Institute of Chemical Engineers.

Rapid prediction of solvation free energy and vapor pressure of liquid and solid from molecular dynamics simulation

Shiang-Tai Lin, Li Yang, Shiang‐Tai Lin, 2015 .

Rapid determination of entropy and free energy of mixtures from molecular dynamics simulations with the two-phase thermodynamic model.

Pin-Kuang Lai, Chieh-Ming Hsieh, Shiang‐Tai Lin, 2012, Physical chemistry chemical physics : PCCP.

A priori prediction of the octanol–water partition coefficient (Kow) of ionic liquids

Bong-Seop Lee, Shiang‐Tai Lin, 2014 .

Accurate Prediction of Vertical Emission from Excited-State Tuning of Range-Separated Density Functional Theory

T. Vikramaditya, Shiang‐Tai Lin, 2020 .

Molecular dynamics study on the nucleation of methane + tetrahydrofuran mixed guest hydrate.

Jyun-Yi Wu, Li-Jen Chen, Yan-Ping Chen, 2016, Physical chemistry chemical physics : PCCP.

Internal coordinate density of state from molecular dynamics simulation

Pin-Kuang Lai, Shiang-Tai Lin, Pin-Kuang Lai, 2015, J. Comput. Chem..

Rapid determination of entropy for flexible molecules in condensed phase from the two-phase thermodynamic model

Shiang-Tai Lin, Pin-Kuang Lai, Shiang‐Tai Lin, 2014 .

Water Vacancy Driven Diffusion in Clathrate Hydrates: Molecular Dynamics Simulation Study

Ming-Tsung Lee, Shiang‐Tai Lin, Hsuan Lo, 2017 .

Prediction of miscibility gaps in water/ether mixtures using COSMO-SAC model

Pin-Kuang Lai, Wei-Lin Chen, Chieh-Ming Hsieh, 2011 .

Novel Donor–Electret–Acceptor Framework for Higher Charge Transfer and Distance of Charge Transfer through Dipole Engineering

T. Vikramaditya, Shiang‐Tai Lin, 2021, The Journal of Physical Chemistry C.

Comprehensive Assessment of COSMO-SAC Models for Predictions of Fluid-Phase Equilibria

Shiang-Tai Lin, Wei-Lin Chen, J. Vrabec, 2017 .

Improved Prediction of Vapor Pressure for Pure Liquids and Solids from the PR+COSMOSAC Equation of State

Chieh-Ming Hsieh, Shiang‐Tai Lin, Li-Hsin Wang, 2015 .

Determination of cubic equation of state parameters for pure fluids from first principle solvation calculations

Chieh-Ming Hsieh, Shiang‐Tai Lin, 2008 .

Determination of cubic equation of state parameters for pure and mixture fluids from first principle solvation calculations

Chieh-Ming Hsieh, Shiang‐Tai Lin, 2008 .

Thermodynamic equations of state from molecular solvation

Shiang‐Tai Lin, 2006 .

Prediction of pH Effect on the Octanol–Water Partition Coefficient of Ionizable Pharmaceuticals

Shiang-Tai Lin, Chao Chen, Shiang‐Tai Lin, 2016 .

Explicit consideration of spatial hydrogen bonding direction for activity coefficient prediction based on implicit solvation calculations.

Wei-Lin Chen, Shiang‐Tai Lin, 2017, Physical chemistry chemical physics : PCCP.

Promotion mechanism for the growth of CO2 hydrate with urea using molecular dynamics simulations.

David T Wu, Shiang‐Tai Lin, Po W. Wang, 2021, Chemical communications.

Towards the development of theoretically correct liquid activity coefficient models

Shiang-Tai Lin, Chieh-Ming Hsieh, Min-Kang Hsieh, 2009 .

Absolute Entropy and Energy of Carbon Dioxide Using the Two-Phase Thermodynamic Model.

W. Goddard, T. Pascal, S. Huang, 2011, Journal of chemical theory and computation.

Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics.

W. Goddard, T. Pascal, Shiang‐Tai Lin, 2011, Physical chemistry chemical physics : PCCP.

Entropy of different phases formed by soft rods.

Jayeeta Chattopadhyay, P. Maiti, Shiang‐Tai Lin, 2023, The Journal of chemical physics.

Efficient Computation of Entropy and Other Thermodynamic Properties for Two-Dimensional Systems Using Two-Phase Thermodynamic Model.

P. Maiti, Shiang‐Tai Lin, Sindhana Selvi Pannir Sivajothi, 2018, The journal of physical chemistry. B.

Measurements for the Dissociation Conditions of Methane Hydrate in the Presence of 1,3,5-Trioxane and Oxolan-2-ylmethanol

Li-Jen Chen, Yan-Ping Chen, Shiang‐Tai Lin, 2011 .

Band gap engineering via controlling donor-acceptor compositions in conjugated copolymers.

W. Su, C. Dai, C. Chao, 2013, Journal of Physical Chemistry B.