Structural properties of sH hydrate: a DFT study of anisotropy and equation of state

Proton disorder and elasticity of hexagonal ice and gas hydrates

(2019) Sergey V. Gudkovskikh et al.   JOURNAL OF MOLECULAR MODELING

Theoretical investigation of storage capacity of hydrocarbon gas in sH hydrate

(2019) Jinxiang Liu et al.   CHEMICAL PHYSICS

Prediction of efficient promoter molecules of sH hydrogen hydrate: An ab initio study

(2018) Jinxiang Liu et al.   CHEMICAL PHYSICS

Experimental investigation on structure H hydrates formation kinetics: Effects of surfactants on interfacial tension

(2017) Amir Erfani et al.   JOURNAL OF MOLECULAR LIQUIDS

Atomistic modeling of structure II gas hydrate mechanics: Compressibility and equations of state

(2016) Thomas M. Vlasic et al.   AIP Advances

Effect of nitrogen atom substitution in cyclic guests on properties of structure H clathrate hydrates

(2015) Kazuki Imasato et al.   CANADIAN JOURNAL OF CHEMISTRY

Ideal Strength of Methane Hydrate and Ice Ih from First-Principles

(2015) Zeina M. Jendi et al.   CRYSTAL GROWTH & DESIGN

Structural Characterization of Structure H (sH) Clathrate Hydrates Enclosing Nitrogen and 2,2-Dimethylbutane

(2015) Yusuke Jin et al.   Journal of Physical Chemistry C

Hydrogen storage in clathrate hydrates: Current state of the art and future directions

(2014) Hari Prakash Veluswamy et al.   APPLIED ENERGY

The structure of CO2 hydrate between 0.7 and 1.0 GPa

(2014) C. A. Tulk et al.   JOURNAL OF CHEMICAL PHYSICS

Anisotropic Lattice Expansion of Structure H Clathrate Hydrates Induced by Help Guest: Experiments and Molecular Dynamics Simulations

(2014) Kotaro Murayama et al.   Journal of Physical Chemistry C

Ab initioDFT study of structural and mechanical properties of methane and carbon dioxide hydrates

(2014) Zeina M. Jendi et al.   MOLECULAR SIMULATION

Phase equilibrium and crystallographic structure of clathrate hydrate formed in argon+2,2-dimethylbutane+water system

(2013) Kotaro Murayama et al.   FLUID PHASE EQUILIBRIA

Effect of Guest Size and Conformation on Crystal Structure and Stability of Structure H Clathrate Hydrates: Experimental and Molecular Dynamics Simulation Studies

(2013) Kyoichi Tezuka et al.   Journal of Physical Chemistry C

Bulk modulus for polar covalent crystals

(2013) Bo Xu et al.   Scientific Reports

Advances in molecular simulations of clathrate hydrates

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

Mechanical properties of clathrate hydrates: status and perspectives

(2012) Fulong Ning et al.   Energy & Environmental Science

Vibrational modes of methane in the structure H clathrate hydrate from ab initio molecular dynamics simulation

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

Compressibility of Gas Hydrates

(2011) Andrey Yu. Manakov et al.   CHEMPHYSCHEM

Molecular dynamics simulation of structure H clathrate-hydrates of binary guest molecules

(2011) Hamid Erfan-Niya et al.   Journal of Natural Gas Chemistry

Structures of the I-, II- and H-Methane Clathrates and the Ice−Methane Clathrate Phase Transition from Quantum-Chemical Modeling with Force-Field Thermal Corrections

(2011) Annika Lenz et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Water-Soluble Structure H Clathrate Hydrate Formers

(2011) Woongchul Shin et al.   Journal of Physical Chemistry C

Mechanical and thermal properties of methane clathrate hydrates as an alternative energy resource

(2011) Hu Huo et al.   Journal of Renewable and Sustainable Energy

Ab initioenergetics and kinetics study of H2and CH4in the SI clathrate hydrate

(2011) Qi Li et al.   PHYSICAL REVIEW B

Structural stability of methane hydrate at high pressures

(2011) Jinfu Shu et al.   Geoscience Frontiers

Stability, Adsorption, and Diffusion ofCH4,CO2, andH2in Clathrate Hydrates

(2010) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Guest disorder and high pressure behavior of argon hydrates

(2009) L. Yang et al.   CHEMICAL PHYSICS LETTERS

Comparison of the Properties of Xenon, Methane, and Carbon Dioxide Hydrates from Equilibrium and Nonequilibrium Molecular Dynamics Simulations

(2009) H. Jiang et al.   Journal of Physical Chemistry C

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Molecular dynamics study of structure H clathrate hydrates of methane and large guest molecules

(2008) Robin Susilo et al.   JOURNAL OF CHEMICAL PHYSICS

Monte Carlo study of sII and sH argon hydrates with multiple occupancy of cages

(2008) N.I. Papadimitriou et al.   MOLECULAR SIMULATION