2022
Absorption of Volatile Organic Compounds Toluene and Acetaldehyde in Choline Chloride-Based Deep Eutectic Solvents
2021
Acrylic Paints: An Atomistic View of Polymer Structure and Effects of Environmental Pollutants
Isotope Effects on the Vaporization of Organic Compounds from an Aqueous Solution-Insight from Experiment and Computations
Ste2p Under the Microscope: the Investigation of Oligomeric States of a Yeast G Protein-Coupled Receptor
2020
In-Cell Detection of Conformational Substates of a G Protein-Coupled Receptor Quaternary Structure: Modulation of Substate Probability by Cognate Ligand Binding
Multiscale Modeling of Human Skin Oil-Induced Indoor Air Chemistry: Combining Kinetic Models and Molecular Dynamics
2019
"Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations"
2018
Can Path Integral Molecular Dynamics Make a Good Approximation for Vapor Pressure Isotope Effects Prediction for Organic Solvents? A Comparison to ONIOM QM/MM and QM Cluster Calculation
2017
Conformational Entropy from Slowly Relaxing Local Structure Analysis of (15)N-H Relaxation in Proteins: Application to Pheromone Binding to MUP-I in the 283-308 K Temperature Range
2016
pi-Hydrogen Bonding of Aromatics on the Surface of Aerosols: Insights from Ab Initio and Molecular Dynamics Simulation
2014
Water accommodation on ice and organic surfaces: insights from environmental molecular beam experiments
2013
Selection of ionic liquids for enhancing the gas solubility of volatile organic compounds
2010
Detection of volatile organic compounds using porphyrin derivatives
2009
Crystallization-induced emission enhancement in a phosphorus-containing heterocyclic luminogen
Distribution of organic solutes in biphasic 1-n-butyl-3-methylimidazolium methyl sulfate-supercritical CO(2) system
Polymer molecular weight-dependent unusual fluorescence probe behavior within 1-butyl-3-methylimidazolium hexafluorophosphate+poly(ethylene glycol)
2008
Mutual solubilities of water and the [C(n)mim][Tf(2)N] hydrophobic ionic liquids
2007
Backbone motions of free and pheromone-bound major urinary protein I studied by molecular dynamics simulation
2006
Fabrication of zinc ferrite nanocrystals by sonochemical emulsification and evaporation: observation of magnetization and its relaxation at low temperature
On the difficulties of predicting the adsorption of volatile organic compounds at low pressures in microporous solid: the example of ethyl benzene
2005
Preparation and characterization of novel mesoporous ceria-titania