Computational study of the interplay between intermolecular interactions and CO2 orientations in type I hydrates

Revisiting the thermodynamic modelling of type I gas–hydroquinone clathrates

(2016) M. M. Conde et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direct transition mechanism for molecular diffusion in gas hydrates

(2016) Á. Vidal-Vidal et al.   RSC Advances

Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges

(2015) Niall J. English et al.   CHEMICAL ENGINEERING SCIENCE

A review of the hydrate based gas separation (HBGS) process for carbon dioxide pre-combustion capture

(2015) Ponnivalavan Babu et al.   ENERGY

Molecular dynamics simulation of CO2 hydrates: Prediction of three phase coexistence line

(2015) J. M. Míguez et al.   JOURNAL OF CHEMICAL PHYSICS

The role of intermolecular interactions in the prediction of the phase equilibria of carbon dioxide hydrates

(2015) Joseph Costandy et al.   JOURNAL OF CHEMICAL PHYSICS

DFT calculation of the potential energy landscape topology and Raman spectra of type I CH4 and CO2 hydrates

(2015) Ángel Vidal-Vidal et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Research progress of hydrate-based CO2 separation and capture from gas mixtures

(2014) Chun-Gang Xu et al.   RSC Advances

Molecular dynamics study of CO2 hydrate dissociation: Fluctuation-dissipation and non-equilibrium analysis

(2013) Niall J. English et al.   JOURNAL OF CHEMICAL PHYSICS

Fluid-solid equilibrium of carbon dioxide as obtained from computer simulations of several popular potential models: The role of the quadrupole

(2013) G. Pérez-Sánchez et al.   JOURNAL OF CHEMICAL PHYSICS

Review of CO2–CH4 clathrate hydrate replacement reaction laboratory studies – Properties and kinetics

(2013) Hiroyuki Komatsu et al.   Journal of the Taiwan Institute of Chemical Engineers

Advances in molecular simulations of clathrate hydrates

(2013) Brian C Barnes et al.   Current Opinion in Chemical Engineering

Molecular vibrations of methane molecules in the structure I clathrate hydrate from ab initio molecular dynamics simulation

(2012) Masaki Hiratsuka et al.   JOURNAL OF CHEMICAL PHYSICS

Stability and Reactivity of Methane Clathrate Hydrates: Insights from Density Functional Theory

(2012) K. R. Ramya et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamical Properties of Hydrogen Sulphide Motion in its Clathrate Hydrate from Ab Initio and Classical Isobaric−Isothermal Molecular Dynamics

(2011) Niall J. English et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Dynamical and energetic properties of hydrogen and hydrogen–tetrahydrofuran clathrate hydrates

(2011) Paul D. Gorman et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Current perspectives on gas hydrate resources

(2010) Ray Boswell et al.   Energy & Environmental Science

Hydrogen Storage in Clathrate Hydrates

(2010) Pratim Kumar Chattaraj et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Clathrate Hydrates: From Laboratory Science to Engineering Practice

(2009) Amadeu K. Sum et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Low-Energy Networks of the T-Cage (H2O)24Cluster and Their Use in Constructing Periodic Unit Cells of the Structure I (sI) Hydrate Lattice

(2009) Soohaeng Yoo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Tetrahydrofuran Clathrate Hydrate Formation

(2009) Heiko Conrad et al.   PHYSICAL REVIEW LETTERS

Determination of NMR Lineshape Anisotropy of Guest Molecules within Inclusion Complexes from Molecular Dynamics Simulations

(2008) Saman Alavi et al.   CHEMPHYSCHEM

Swapping Phenomena Occurring in Deep-Sea Gas Hydrates

(2008) Kyuchul Shin et al.   ENERGY & FUELS