Shiang-Tai Lin

Publication Activity (10 Years)

Years Active: 2015-2023
Publications (10 Years): 5

Top Topics

Top Venues

J. Comput. Chem.

J. Chem. Inf. Model.

Publications

Chen-Hsuan Huang, Shiang-Tai Lin
MARS Plus: An Improved Molecular Design Tool for Complex Compounds Involving Ionic, Stereo, and Cis-Trans Isomeric Structures. J. Chem. Inf. Model. 63 (24) (2023)
Talapunur Vikramaditya, Shiang-Tai Lin
Limitations of Global Hybrids in Predicting the Geometries and Torsional Energy Barriers of Dimeric Systems and the Role of Hartree Fock and DFT Exchange. J. Comput. Chem. 40 (32) (2019)
Hsuan-Hao Hsu, Chen-Hsuan Huang, Shiang-Tai Lin
New Data Structure for Computational Molecular Design with Atomic or Fragment Resolution. J. Chem. Inf. Model. 59 (9) (2019)
Talapunur Vikramaditya, Jeng-Da Chai, Shiang-Tai Lin
Impact of non-empirically tuning the range-separation parameter of long-range corrected hybrid functionals on ionization potentials, electron affinities, and fundamental gaps. J. Comput. Chem. 39 (28) (2018)
Talapunur Vikramaditya, Shiang-Tai Lin
Assessing the role of Hartree-Fock exchange, correlation energy and long range corrections in evaluating ionization potential, and electron affinity in density functional theory. J. Comput. Chem. 38 (21) (2017)
Pin-Kuang Lai, Shiang-Tai Lin
Internal coordinate density of state from molecular dynamics simulation. J. Comput. Chem. 36 (8) (2015)