Generalized Gradient Approximation Made Simple
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October 1996 |
Evolution from Surface-Influenced to Bulk-Like Dynamics in Nanoscopically Confined Water
- Romero-Vargas Castrillón, Santiago; Giovambattista, Nicolás; Aksay, Ilhan A.
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The Journal of Physical Chemistry B, Vol. 113, Issue 23
https://doi.org/10.1021/jp9025392
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June 2009 |
Confinement Effects on the Benzene Orientational Structure
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March 2018 |
Small-Angle Scattering Study of the Porous Structure
Ordering in the Mesoporous Sba-15 Material
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January 2021 |
Properties of Benzene Confined between Two Au(111) Surfaces Using a Combined Density Functional Theory and Classical Molecular Dynamics Approach
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July 2011 |
Molecular simulation of the adsorption and structure of benzene confined in mesoporous silicas
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October 2007 |
Chemical reactivity under nanoconfinement
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April 2020 |
X-ray Study of Freezing and Melting of Water Confined within SBA-15
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April 2003 |
Theoretical study of the solvent effect on the aromaticity of benzene: a NICS analysis
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February 2014 |
From Homogeneous to Heterogeneous Nucleation of Chain Molecules under Nanoscopic Cylindrical Confinement
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March 2007 |
The behavior of benzene confined in a single wall carbon nanotube
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March 2015 |
In Situ Synchrotron Small-Angle X-ray Scattering/X-ray Diffraction Study of the Formation of SBA-15 Mesoporous Silica
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June 2004 |
Crystal Structure of Benzene II at 25 Kilobars
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September 1969 |
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
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September 2009 |
Crystallization of Micelles at Chemically Terminated Interfaces
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June 2004 |
A Broyden—Fletcher—Goldfarb—Shanno optimization procedure for molecular geometries
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December 1985 |
High pressure solid phases of benzene. I. Raman and x‐ray studies of C 6 H 6 at 294 K up to 25 GPa
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October 1988 |
Confinement-Induced Supercriticality and Phase Equilibria of Hydrocarbons in Nanopores
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October 2016 |
From Heterogeneous to Homogeneous Nucleation of Isotactic Poly(propylene) Confined to Nanoporous Alumina
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April 2011 |
Exploiting the π-bonding for the separation of benzene and cyclohexane in zeolites
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October 2020 |
Confinement effects on freezing and melting
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March 2001 |
Water: A Tale of Two Liquids
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April 2016 |
Interfacial and Confinement-Mediated Organization of Gas Hydrates, Water, Organic Fluids, and Nanoparticles for the Utilization of Subsurface Energy and Geological Resources
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February 2021 |
The Nose–Hoover thermostat
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October 1985 |
Dynamics of methane molecules in the mesopores of controlled-pore glass at low temperatures
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April 1999 |
Ion-Specific Effects under Confinement: The Role of Interfacial Water
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March 2010 |
Water diffusion inside carbon nanotubes: mutual effects of surface and confinement
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January 2012 |
GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
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September 2015 |
Anisotropic diffusion of a fluid confined to different geometries at the nanoscale
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July 2007 |
Crystallization in Confinement
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June 2020 |
The structure of deuterated benzene films adsorbed on the graphite (0001) basal plane: what happens below and above the monolayer coverage?
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January 2014 |
Molecular dynamics simulation of benzene in graphite and amorphous carbon slit pores
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September 2013 |
Effect of Confinement on the Phase Transition of Benzene in Nanoporous Silica: A Positron Annihilation Study
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November 2008 |
Heterogeneous nucleation of an n-alkane on graphene-like materials
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July 2018 |
Extended range X-ray pair distribution functions
- Benmore, C. J.; Alderman, O. L. G.; Robinson, D.
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Nuclear Instruments and Methods in Physics Research Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, Vol. 955
https://doi.org/10.1016/j.nima.2019.163318
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March 2020 |
Polymorphism and polyamorphism in bilayer water confined to slit nanopore under high pressure
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December 2012 |
Glass transition, freezing and melting of liquids confined in the mesoporous silicate MCM-41
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November 1999 |
X-ray diffraction studies of freezing and melting of water confined in a mesoporous adsorbent (MCM-41)
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November 1997 |
Competitive adsorption and selectivity of benzene and water vapor on the microporous metal organic frameworks (HKUST-1)
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January 2015 |
Local structure and density fluctuations in confined fluids
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April 2016 |
Rotator phases in alkane systems: In bulk, surface layers and micro/nano-confinements
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July 2019 |
Dynamic Crossover in Supercooled Confined Water: Understanding Bulk Properties through Confinement
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January 2010 |
Novel ice structures in carbon nanopores: pressure enhancement effect of confinement
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January 2011 |
Adsorption, structure and dynamics of benzene in ordered and disordered porous carbons
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January 2011 |
Highly Confined Water: Two-Dimensional Ice, Amorphous Ice, and Clathrate Hydrates
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July 2014 |
Exploring Polymorphism: The Case of Benzene
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June 2005 |
Ordered mesoporous molecular sieves synthesized by a liquid-crystal template mechanism
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October 1992 |
Motions and Relaxations of Confined Liquids
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September 1991 |
Microbeam X-ray Diffraction Analysis of Interfacial Heterogeneous Nucleation of n -Hexadecane inside Oil-in-Water Emulsion Droplets
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August 2008 |
Freezing and Melting of Water Confined in Silica Nanopores
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November 2008 |
Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field
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January 2004 |
Nika : software for two-dimensional data reduction
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March 2012 |
Freezing-point Depression of Benzene Confined in Mesoporous Silica SBA-15 on Doping with a Slight Amount of Toluene: Ideal Behavior in a Nanometer-sized Space
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March 2017 |
Development and Testing of the OPLS All-Atom Force Field on Conformational Energetics and Properties of Organic Liquids
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January 1996 |
Layering Transitions and Dynamics of Confined Liquid Films
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July 1997 |
Confinement or the Nature of the Interface? Dynamics of Nanoscopic Water
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November 2007 |
Particle mesh Ewald: An N ⋅log( N ) method for Ewald sums in large systems
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June 1993 |
Molecular Diffusivity of Polycyclic Aromatic Hydrocarbons in Air
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April 1994 |
The Freezing Point of Benzene as a Fixed Point in Thermometry.
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September 1914 |
Structural behavior of supercritical fluids under confinement
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January 2018 |
Dynamics of Nanoconfined Supercooled Liquids
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May 2011 |
Cyclohexane and Benzene Confined in MCM-41 and SBA-15: Confinement Effects on Freezing and Melting
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July 2003 |
Surface crystallization of liquid normal-alkanes
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February 1993 |
Size-dependent freezing of n-alcohols in silicon nanochannels
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October 2010 |
Structure and Dynamics of Benzene Confined in Silica Nanopores
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July 2011 |
Molecular Diffusivity of Polycyclic Aromatic Hydrocarbons in Aqueous Solution
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April 1994 |
Right- and left-handedness of 21 symmetrical herringbone assemblies of benzene
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January 2012 |
Origin of the emergent fragile-to-strong transition in supercooled water
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September 2018 |
Probing the dynamics and structure of confined benzene in MCM-41 based catalysts
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January 2020 |
Chemistry in nanoconfined water
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January 2017 |
Reversible Hydrophobicity–Hydrophilicity Transition Modulated by Surface Curvature
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April 2018 |
Molecular elucidating of an unusual growth mechanism for polycyclic aromatic hydrocarbons in confined space
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February 2020 |
The structure and dynamics of solid benzene. I. A neutron powder diffraction study of deuterated benzene from 4 K to the melting point
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May 1993 |
Effects of Confinement on Water Structure and Dynamics: A Molecular Simulation Study
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February 2007 |
NMR line width, relaxation and diffusion studies of cyclohexane confined in porous silica
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January 1999 |
Crystallization Behaviors of n -Octadecane in Confined Space: Crossover of Rotator Phase from Transient to Metastable Induced by Surface Freezing
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September 2008 |
Density, freezing and molecular aggregation in pyridazine, pyridine and benzene
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January 2010 |
Crystallization and nucleation mechanism of heavy hydrocarbons in natural gas
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January 2022 |
Vitrification and Crystallization of Organic Liquids Confined to Nanoscale Pores
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January 1996 |
Adsorption and Structure of Benzene on Silica Surfaces and in Nanopores
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August 2009 |
Effect of Confinement on Pressure/Volume/Temperature Properties of Hydrocarbons in Shale Reservoirs
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April 2016 |
Molecular dynamics study of nanoconfined TIP4P/2005 water: how confinement and temperature affect diffusion and viscosity
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January 2019 |
Confinement of molecular liquids: Consequences on thermodynamic, static and dynamical properties of benzene and toluene
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September 2003 |
Pressure-frozen benzene I revisited
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January 2006 |
Physical Control of Phase Behavior of Hexadecane in Nanopores
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August 2015 |
Avogadro: an advanced semantic chemical editor, visualization, and analysis platform
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August 2012 |
Diffusion of Benzene in the Breathing Metal–Organic Framework MIL-53(Cr): A Joint Experimental–Computational Investigation
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April 2015 |
Influence of Pore Wall Hydrophobicity on Freezing and Melting of Confined Water
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January 2018 |
Adsorption and Diffusion of Benzene in Mg-MOF-74 with Open Metal Sites
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January 2019 |
Anomalously low activation energy of nanoconfined MgCO 3 precipitation
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January 2019 |
Effects of confinement on freezing and melting
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January 2006 |
2 H-Solid-State NMR Study of Benzene- d 6 Confined in Mesoporous Silica SBA-15
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February 2002 |
Crystallization Features of Normal Alkanes in Confined Geometry
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August 2013 |
Heterogeneous nucleation of crystallization
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January 1973 |