Shiang-Tai Lin

A Benchmark Open-Source Implementation of COSMO-SAC.

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

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..

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..

Internal coordinate density of state from molecular dynamics simulation

Pin-Kuang Lai, Shiang-Tai Lin, Pin-Kuang Lai, 2015, 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..

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

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

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..

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.