A priori phase equilibrium prediction from a segment contribution solvation model ST Lin, SI Sandler Industrial & engineering chemistry research 41 (5), 899-913, 2002 | 941 | 2002 |
The two-phase model for calculating thermodynamic properties of liquids from molecular dynamics: Validation for the phase diagram of Lennard-Jones fluids ST Lin, M Blanco, WA Goddard III The Journal of chemical physics 119 (22), 11792-11805, 2003 | 535 | 2003 |
Effect of solvent and pH on the structure of PAMAM dendrimers PK Maiti, T Çaǧın, ST Lin, WA Goddard Macromolecules 38 (3), 979-991, 2005 | 503 | 2005 |
Two-phase thermodynamic model for efficient and accurate absolute entropy of water from molecular dynamics simulations ST Lin, PK Maiti, WA Goddard III The Journal of Physical Chemistry B 114 (24), 8191-8198, 2010 | 339 | 2010 |
Molecular dynamics study of a surfactant-mediated decane− water interface: effect of molecular architecture of alkyl benzene sulfonate SS Jang, ST Lin, PK Maiti, M Blanco, WA Goddard, P Shuler, Y Tang The Journal of Physical Chemistry B 108 (32), 12130-12140, 2004 | 309 | 2004 |
Improvements of COSMO-SAC for vapor–liquid and liquid–liquid equilibrium predictions CM Hsieh, SI Sandler, ST Lin Fluid Phase Equilibria 297 (1), 90-97, 2010 | 306 | 2010 |
Thermodynamics of liquids: standard molar entropies and heat capacities of common solvents from 2PT molecular dynamics TA Pascal, ST Lin, WA Goddard III Physical chemistry chemical physics 13 (1), 169-181, 2011 | 192 | 2011 |
Prediction of vapor pressures and enthalpies of vaporization using a COSMO solvation model ST Lin, J Chang, S Wang, WA Goddard, SI Sandler The Journal of Physical Chemistry A 108 (36), 7429-7439, 2004 | 164 | 2004 |
Theoretical Investigation of the Metal-Doped SrTiO3 Photocatalysts for Water Splitting HC Chen, CW Huang, JCS Wu, ST Lin The Journal of Physical Chemistry C 116 (14), 7897-7903, 2012 | 162 | 2012 |
Dynamics and thermodynamics of water in PAMAM dendrimers at subnanosecond time scales ST Lin, PK Maiti, WA Goddard The Journal of Physical Chemistry B 109 (18), 8663-8672, 2005 | 157 | 2005 |
The growth of structure I methane hydrate from molecular dynamics simulations YT Tung, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry B 114 (33), 10804-10813, 2010 | 146 | 2010 |
Efficiency of various lattices from hard ball to soft ball: Theoretical study of thermodynamic properties of dendrimer liquid crystal from atomistic simulation Y Li, ST Lin, WA Goddard Journal of the American Chemical Society 126 (6), 1872-1885, 2004 | 118 | 2004 |
In situ methane recovery and carbon dioxide sequestration in methane hydrates: A molecular dynamics simulation study YT Tung, LJ Chen, YP Chen, ST Lin The journal of physical chemistry B 115 (51), 15295-15302, 2011 | 101 | 2011 |
New donor–acceptor oligoimides for high-performance nonvolatile memory devices WY Lee, T Kurosawa, ST Lin, T Higashihara, M Ueda, WC Chen Chemistry of Materials 23 (20), 4487-4497, 2011 | 101 | 2011 |
Substituent Effect on the Optoelectronic Properties of Alternating Fluorene− Cyclopentadithiophene Copolymers B Pal, WC Yen, JS Yang, CY Chao, YC Hung, ST Lin, CH Chuang, ... Macromolecules 41 (18), 6664-6671, 2008 | 98 | 2008 |
Infinite dilution activity coefficients from ab initio solvation calculations ST Lin, SI Sandler AIChE journal 45 (12), 2606-2618, 1999 | 97 | 1999 |
Entropy and dynamics of water in hydration layers of a bilayer A Debnath, B Mukherjee, KG Ayappa, PK Maiti, ST Lin The Journal of Chemical Physics 133 (17), 2010 | 95 | 2010 |
Entropy of water in the hydration layer of major and minor grooves of DNA B Jana, S Pal, PK Maiti, ST Lin, JT Hynes, B Bagchi The Journal of Physical Chemistry B 110 (39), 19611-19618, 2006 | 92 | 2006 |
Thermodynamics of water entry in hydrophobic channels of carbon nanotubes H Kumar, B Mukherjee, ST Lin, C Dasgupta, AK Sood, PK Maiti The Journal of chemical physics 134 (12), 2011 | 90 | 2011 |
Growth of structure I carbon dioxide hydrate from molecular dynamics simulations YT Tung, LJ Chen, YP Chen, ST Lin The Journal of Physical Chemistry C 115 (15), 7504-7515, 2011 | 88 | 2011 |