Filtros de búsqueda

Lista de obras de Shiang-Tai Lin

A Benchmark Open-Source Implementation of COSMO-SAC

artículo científico publicado en 2020

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

artículo científico publicado en 2011

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

artículo científico publicado en 2017

Band Gap Engineering via Controlling Donor–Acceptor Compositions in Conjugated Copolymers ⬇️

artículo científico publicado el 2 de enero de 2013

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

artículo científico publicado en 2014

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

artículo científico publicado en 2009

Effect of Small Cage Guests on Dissociation Properties of Tetrahydrofuran Hydrates

scientific article published on 06 August 2020

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

artículo científico publicado en 2018

Efficient and accurate solvation energy calculation from polarizable continuum models

artículo científico publicado en 2006

Entropy and dynamics of water in hydration layers of a bilayer

scientific article published on 01 November 2010

Entropy of Water in the Hydration Layer of Major and Minor Grooves of DNA

artículo científico publicado en 2006

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

artículo científico publicado en 2018

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

artículo científico publicado en 2011

Internal coordinate density of state from molecular dynamics simulation

artículo científico publicado en 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

scientific article published on 24 August 2019

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

article

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

artículo científico publicado en 2012

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

scientific article published on 20 August 2019

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

artículo científico publicado el 8 de octubre de 2012

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

artículo científico publicado en 2012

The Origin of Ion-Pairing and Redissociation of Ionic Liquid

artículo científico publicado en 2017

The growth of structure I methane hydrate from molecular dynamics simulations

artículo científico publicado en 2010

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

artículo científico publicado en 2012

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

article

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

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

artículo científico publicado en 2009

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

artículo científico publicado en 2010

Thermodynamics of water entry in hydrophobic channels of carbon nanotubes

scientific article published on 01 March 2011

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

artículo científico publicado en 2010

Dominio Público Uruguay está sostenido por:

Acerca de Dominio Público Uruguay

Ayuda