Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials

QR Code

Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials

Bibliographic Details
Main Authors:	Martin, P., Spagnoli, Dino, Marmier, A., Parker, S., Sayle, D., Watson, G.
Format:	Journal Article
Published:	Taylor & Francis Ltd 2006
Online Access:	http://hdl.handle.net/20.500.11937/37975

Similar Items

Molecular Simulation of Mineral Surfaces and the Role of Impurities on Surface Stability
by: Parker, S., et al.
Published: (2007)

Molecular dynamics simulations of the interaction between the surfaces of polar solids and aqueous solutions
by: Spagnoli, Dino, et al.
Published: (2006)

The Structure and Dynamics of Hydrated and Hydroxylated Magnesium Oxide Nanoparticles
by: Spagnoli, Dino, et al.
Published: (2011)

Atomistic simulation of the free energies of dissolution of ions from flat and stepped calcite surfaces
by: Spagnoli, Dino, et al.
Published: (2006)

Free Energy Change of Aggregation of Nanoparticles
by: Spagnoli, Dino, et al.
Published: (2008)

Minor pathological changes are induced by naltrexone-poly(DL-lactide) implants in pregnant rats
by: Farid, W., et al.
Published: (2009)

Biodegradability of naltrexone-poly(DL) lactide implants in vivo assessed under ultrasound in humans
by: Hulse, G., et al.
Published: (2008)

Investigations of Magnetic and Structural Order in Molecular-based Inorganic Framework Materials
by: Geers, Madeleine
Published: (2024)

Growth modification of seeded calcite using carboxylic acids: Atomistic simulations
by: Aschauer, U., et al.
Published: (2010)

Atomistic theory and simulation of the morphology and structure of ionic nanoparticles
by: Spagnoli, Dino, et al.
Published: (2012)

Development of a porous poly(DL-lactic acid-co-glycolic acid)-based scaffold for mastoid air-cell regeneration
by: Gould, Toby W.A., et al.
Published: (2013)

Molecular dynamics simulations of liquid-liquid interfaces in an electric field: The water-1,2-dichloroethane interface
by: Raiteri, Paolo, et al.
Published: (2020)

Inorganic materials in hollow carbon nanostructures
by: Botos, Ákos
Published: (2016)

Molecular Dynamics Investigation on Adsorption Layer of Alcohols at the Air/Brine Interface
by: Nguyen, Van Cuong, et al.
Published: (2015)

The Thermodynamic Hydrate Difference Rule (HDR) Applied to Salts of Carbon-Containing Oxyacid Salts and Their Hydrates: Materials at the Inorganic-Organic Interface
by: Jenkins, H., et al.
Published: (2010)

The entrapment, manipulation, and transformations of inorganic materials at the nanoscale
by: Norman, Luke Thomas
Published: (2022)

Surface Potential of MIBC at Air/Water Interface: a Molecular Dynamics Study
by: Phan, Chi, et al.
Published: (2012)

Surface potential of MIBC at air/water interface: A molecular dynamics study
by: Phan, Chi, et al.
Published: (2011)

A dual-application poly (DL-lactic-co-glycolic) acid (PLGA)-chitosan composite scaffold for potential use in bone tissue engineering
by: Boukari, Yamina, et al.
Published: (2017)

Quranic verses extraction base on concepts using OWL-DL ontology
by: Yauri, Aliyu Rufai, et al.
Published: (2013)

Inorganic Materials Confined in Carbon and Boron Nitride Nanotubes
by: Cull, William J.
Published: (2024)

The atomic structure and dynamics at the CaCO3 vaterite-water interface: A classical molecular dynamics study
by: Schuitemaker, Alicia, et al.
Published: (2021)

Formation of high stability bio-inorganic materials: deoxyribonucleic acid (DNA) encapsulated in inorganic layered doubled hydroxide interlamella
by: Suyub, Iswan Budy, et al.
Published: (2005)

Chapter 9: Amperometric ion sensing approaches at liquid/liquid interfaces for inorganic, organic and biological ions
by: Lee, H., et al.
Published: (2016)

Dynamics of dissolved inorganic nitrogen in a tropical tidal river
by: Rahman, Mohammad Mustafizur
Published: (2016)

Responsive cell–material interfaces
by: Dhowre, Hala S., et al.
Published: (2015)

Development of Thermal Interface Material
by: Tan, Cheow Hoong
Published: (2015)

Electrochemistry of Non-Redox-Active Poly(propylenimine) and Poly(amidoamine) Dendrimers at Liquid-Liquid Interfaces
by: Berduque, A., et al.
Published: (2007)

Kepuasan pekerjaan dalam kalangan jururawat dl Hospital Universiti Sains Malaysia (HUSM)
by: Emi, Hussien
Published: (2008)

Perang Dan Perlanunan Dl Sarawak Pada Era Penjajahan Abad Ke-19
by: Law, Sze Yung
Published: (2007)

Delivery of definable number of drug or growth factor loaded poly(DL-lactic acid-co-glycolic acid) microparticles within human embryonic stem cell derived aggregates
by: Qutachi, Omar, et al.
Published: (2013)

Geopolymer: a review on physical properties of inorganic aluminosilicate coating materials
by: Mazlan, Norkhairunnisa, et al.
Published: (2015)

Comprehensive review on the application of inorganic and organic photovoltaics as greenhouse shading materials
by: Li, Lu, et al.
Published: (2022)

Dynamic surface tension studies on poly(N-vinylcaprolactam/N-vinylpyrrolidone/N,N-dimethylaminoethyl methacrylate) at the air-liquid interface
by: Rojas, Yenny, et al.
Published: (2010)

Dynamic filtration at soil-geotextile interfaces
by: Khan, Muhammad Waleed
Published: (2017)

Inorganic membranes
by: Liu, Shaomin, et al.
Published: (2013)

Is the calcite–water interface understood?: Direct comparisons of molecular dynamics simulations with specular x-ray reflectivity data
by: Fenter, P., et al.
Published: (2012)

Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite
by: Spagnoli, Dino, et al.
Published: (2010)

Prediction of the effects of size and morphology on the structure of water around hematite nanoparticles
by: Spagnoli, Dino, et al.
Published: (2009)

Molecular-Based Strategies to Exploit the Inorganic Phosphate-Solubilization Ability of Pseudomonas in Sustainable Agriculture
by: Browne, P., et al.
Published: (2013)