D. Spagnoli

发表

Atomistic theory and simulation of the morphology and structure of ionic nanoparticles.

J. Gale, D. Spagnoli, 2012, Nanoscale.

Force Field Application and Development

S. C. Parker, S. Parker, M. Molinari, 2016 .

Introducing the First Year Laboratory to Undergraduate Chemistry Students with an Interactive 360° Experience

Cara Rummey, D. Spagnoli, T. Clemons, 2019, Journal of Chemical Education.

Spinning up the polymorphs of calcium carbonate

Ramiz A. Boulos, C. Raston, Adam D. Martin, 2014, Scientific Reports.

Effect of pH and structure on the channel conductivity of AlGaN/GaN heterostructure based sensors

G. Umana-Membreno, G. Parish, B. Nener, 2018, Sensors and Actuators B: Chemical.

Theoretical study of the influence of surface effects on GaN-based chemical sensors

G. Umana-Membreno, G. Parish, B. Nener, 2018, Applied Surface Science.

Density Functional Theory Simulations of Water Adsorption and Activation on the (-201) β-Ga2 O3 Surface.

G. Parish, B. Nener, D. Spagnoli, 2018, Chemistry.

Molecular Dynamics Study of Heteroepitaxial Growth of HgCdTe on Perfect and Dislocated (211)B CdZnTe Substrates

L. Faraone, D. Spagnoli, N. Hew, 2021, ACS Applied Electronic Materials.

First‐Principles Study of the 30° and 90° Partial Dislocations in HgTe, CdTe, and Hg0.7Cd0.3Te

L. Faraone, D. Spagnoli, N. Hew, 2022, physica status solidi (b).

Free energy change of aggregation of nanoparticles

S. C. Parker, J. Banfield, S. Parker, 2008 .

Growth modification of seeded calcite using carboxylic acids: atomistic simulations.

S. C. Parker, P. Bowen, S. Parker, 2010, Journal of colloid and interface science.

Initial hydration process of calcium silicates in Portland cement: A comprehensive comparison from molecular dynamics simulations

A. Fourie, H. Manzano, Qiu-song Chen, 2021 .

Structural, electronic, and mechanical properties of calcium aluminate cements: Insight from first-principles theory

A. Fourie, Chongchong Qi, D. Spagnoli, 2020 .

Molecular dynamics simulations of the interactions between water and inorganic solids

S. C. Parker, S. Kerisit, S. Parker, 2005 .

Dy3Al2(AlO4)3 ceramic nanogarnets: Sol-gel auto-combustion synthesis, characterization and joint experimental and computational structural analysis for electrochemical hydrogen storage performances

Ali Salehabadi, Dino Spagnoli, Amir Karton, 2018 .

Atomistic simulation of the free energies of dissolution of ions from flat and stepped calcite surfaces

S. C. Parker, S. Kerisit, S. Parker, 2006 .

The structure and dynamics of hydrated and hydroxylated magnesium oxide nanoparticles.

S. Parker, Jeremy P. Allen, D. Spagnoli, 2011, Langmuir : the ACS journal of surfaces and colloids.

Size-dependent elasticity of nanocrystalline titania

J. Banfield, M. Kunz, Hengzhong Zhang, 2009 .

The impact of several demographic factors on chemistry laboratory anxiety and self-efficacy in students’ first year of university

Cara Rummey, D. Spagnoli, T. Clemons, 2019, Student Success.

A disordered nanoparticle model for 6-line ferrihydrite

G. Waychunas, V. Petkov, B. Gilbert, 2013 .

DFT-D study of single water adsorption on low-index surfaces of calcium silicate phases in cement

A. Fourie, Chongchong Qi, D. Spagnoli, 2020 .

Molecular dynamics simulations of the interaction between the surfaces of polar solids and aqueous solutions

S. C. Parker, S. Kerisit, S. Parker, 2006 .

Prediction of the effects of size and morphology on the structure of water around hematite nanoparticles

J. Banfield, G. Waychunas, B. Gilbert, 2009 .

Density functional theory study of the relative stability of the iron disulfide polymorphs pyrite and marcasite

J. Gale, K. Refson, D. Spagnoli, 2010 .

Developing an Augmented Reality Application in an Undergraduate DNA Precipitation Experiment to Link Macroscopic and Submicroscopic Levels of Chemistry

D. Spagnoli, Michael Ovens, Megan Ellyard, 2020 .

Lessons Learned by Converting a First-Year Physical Chemistry Unit into an Online Course in 2 Weeks

D. Wild, D. Spagnoli, M. Loedolff, 2020 .

Designing online pre-laboratory activities for chemistry undergraduate laboratories

Siobhán S. Wills, Cara Rummey, D. Spagnoli, 2019 .

Atomistic simulations of the aggregation of small aromatic molecules in homogenous and heterogenous mixtures.

Michael Thomas, Li-Juan Yu, A. Karton, 2020, Physical chemistry chemical physics : PCCP.

Application of molecular dynamics DL_POLY codes to interfaces of inorganic materials

S. C. Parker, Paul Martin, G. Watson, 2006 .

Dislocation core energies of the 0° perfect, 60° perfect, 30° partial, and 90° partial dislocations in CdTe, HgTe, and ZnTe: A molecular statics and elasticity theory analysis

L. Faraone, D. Spagnoli, N. Hew, 2021 .

Charging mechanism of AlGaN/GaN open-gate pH sensor and electrolyte interface

G. A. Umana-Membreno, G. Umana-Membreno, G. Parish, 2014, 2014 Conference on Optoelectronic and Microelectronic Materials & Devices.

Growth modification of seeded calcite using carboxylic acids: atomistic simulations.

S. C. Parker, P. Bowen, D. Spagnoli, 2010, Journal of colloid and interface science.

Twin peaks: Matrix isolation studies of H2S·amine complexes shedding light on fundamental S-H⋯N bonding.

D. Wild, D. Spagnoli, Matthew H V Graneri, 2024, The Journal of chemical physics.

Prepare, Do, Review: a model used to reduce the negative feelings towards laboratory classes in an introductory chemistry undergraduate unit

Dino Spagnoli, Shannan J. Maisey, Tristan D. Clemons, 2017 .

The initial stages of cement hydration at the molecular level

H. Manzano, D. Spagnoli, X. Aretxabaleta, 2024, Nature communications.