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Hydration Structure and Dynamics of the Favipiravir Antiviral Drug: A Molecular Modelling ApproachBULLETIN OF THE CHEMICAL SOCIETY OF JAPANIF3.82020-07-303OAAI
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On the interplay between the local structure and dynamics in low concentration mixtures of H2O and HOD in the [Emim+][TF2N-] room temperature ionic liquidJOURNAL OF MOLECULAR LIQUIDSIF5.22019-09-017PREAI
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Preface of Special Issue EMLG-JMLG 2016 Edited by: Jannis Samios and Wolffram SchroerJOURNAL OF MOLECULAR LIQUIDSIF5.22017-11-010PREAI
An investigation of thermodynamics, microscopic structure, depolarized Rayleigh scattering, and collision dynamics in Xe-N2 supercritical mixturesJOURNAL OF MOLECULAR LIQUIDSIF5.22017-11-012OAAI
Local structure and translational dynamics of NMF (N-methylformamide)-DMF (N,N-dimethylformamide) mixtures, via molecular dynamics simulationJOURNAL OF MOLECULAR LIQUIDSIF5.22017-01-014PREAI
Dynamics and drift motion of O2- in supercritical argonJOURNAL OF MOLECULAR LIQUIDSIF5.22015-05-013PREAI
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Adsorption of N2, CH4, CO and CO2 gases in single walled carbon nanotubes: A combined experimental and Monte Carlo molecular simulation studyJOURNAL OF SUPERCRITICAL FLUIDSIF4.42010-12-01132PREAI
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Molecular simulations of benzene and hexafluorobenzene using new optimized effective potential models: Investigation of the liquid, vapor-liquid coexistence and supercritical fluid phasesJOURNAL OF MOLECULAR LIQUIDSIF5.22010-04-018PREAI
Investigation of Silicon Model Nanotubes as Potential Candidate Nanomaterials for Efficient Hydrogen Storage: A Combined Ab Initio/Grand Canonical Monte Carlo Simulation StudyJOURNAL OF PHYSICAL CHEMISTRY CIF3.22008-10-0441PREAI
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Effect of curvature and chirality for hydrogen storage in single-walled carbon nanotubes:: A Combined ab initio and Monte Carlo investigationJOURNAL OF CHEMICAL PHYSICSIF3.12007-04-1049PREAI
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