Quantum-Chemical Descriptors in QSAR/QSPR Studies
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journal
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January 1996 |
Qualitative and Quantitative Structure−Property Relationships Analysis of Multicomponent Potential Bioglasses
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March 2005 |
Quantitative Structure−Property Relationships of Potentially Bioactive Fluoro Phospho-silicate Glasses
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July 2009 |
Understanding the structural drivers governing glass–water interactions in borosilicate based model bioactive glasses
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January 2018 |
Topological Control on Silicates’ Dissolution Kinetics
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April 2016 |
Quantitative Structure–Property Relationship Modeling of Diverse Materials Properties
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journal
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January 2012 |
Computational Modeling of Silicate Glasses: A Quantitative Structure-Property Relationship Perspective
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book
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January 2015 |
Correlation and Prediction of the Refractive Indices of Polymers by QSPR
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journal
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November 1998 |
Prediction of refractive indices of linear polymers by a four-descriptor QSPR model
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journal
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December 2004 |
Linear and nonlinear QSPR models to predict refractive indices of polymers from cyclic dimer structures
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July 2008 |
QSPR studies on refractive indices of structurally heterogeneous polymers
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journal
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January 2015 |
Quantitative Structure−Property Relationship (QSPR) Correlation of Glass Transition Temperatures of High Molecular Weight Polymers
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March 1998 |
Prediction of high weight polymers glass transition temperature using RBF neural networks
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March 2005 |
Correlation between the glass transition temperatures and multipole moments for polymers
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January 2007 |
Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model
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April 2006 |
QSPR analysis for intrinsic viscosity of polymer solutions by means of GA-MLR and RBFNN
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journal
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July 2007 |
Cation clustering in lithium silicate glasses: Quantitative description by solid-state NMR and molecular dynamics simulations
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August 2005 |
Towards a quantitative rationalization of multicomponent glass properties by means of molecular dynamics simulations
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October 2006 |
Molecular Dynamics Simulations and Structural Descriptors of Radioisotope Glass Vectors for In Situ Radiotherapy
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journal
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October 2012 |
Molecular Dynamics Investigation of Halide-Containing Phospho-Silicate Bioactive Glasses
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journal
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March 2018 |
Initial Dissolution Rate of the International Simple Glass as a Function of pH and Temperature Measured Using Microchannel Flow-Through Test Method
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journal
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October 2013 |
Resumption of nuclear glass alteration: State of the art
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May 2014 |
The fate of silicon during glass corrosion under alkaline conditions: A mechanistic and kinetic study with the International Simple Glass
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journal
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February 2015 |
Vapor hydration of SON68 glass from 90°C to 200°C: A kinetic study and corrosion products investigation
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journal
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October 2012 |
An international initiative on long-term behavior of high-level nuclear waste glass
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journal
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June 2013 |
Contribution of atom-probe tomography to a better understanding of glass alteration mechanisms: Application to a nuclear glass specimen altered 25years in a granitic environment
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June 2013 |
Predicting the dissolution kinetics of silicate glasses using machine learning
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May 2018 |
The medium range structure of sodium silicate glasses: a molecular dynamics simulation
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journal
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December 2004 |
Structure, dynamics, and electronic properties of lithium disilicate melt and glass
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journal
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September 2006 |
Rare earth ion clustering behavior in europium doped silicate glasses: Simulation size and glass structure effect
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journal
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December 2012 |
Structure and properties of sodium aluminosilicate glasses from molecular dynamics simulations
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July 2013 |
Short- and medium-range structures of cerium aluminophosphate glasses: A molecular dynamics study
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journal
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November 2014 |
Structure of International Simple Glass and properties of passivating layer formed in circumneutral pH conditions
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journal
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February 2018 |
Structural role of ZrO2 and its impact on properties of boroaluminosilicate nuclear waste glasses
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journal
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June 2018 |
Effects of boron oxide substitution on the structure and bioactivity of SrO-containing bioactive glasses
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journal
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February 2017 |
Mixed Network Former Effect on Structure, Physical Properties, and Bioactivity of 45S5 Bioactive Glasses: An Integrated Experimental and Molecular Dynamics Simulation Study
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journal
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February 2018 |
B 2 O 3 /SiO 2 substitution effect on structure and properties of Na 2 O–CaO–SrO–P 2 O 5 –SiO 2 bioactive glasses from molecular dynamics simulations
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journal
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January 2018 |
Composition-Structure Relationships in Simplified Nuclear Waste Glasses: 2. The Effect of ZrO2 Additions: Composition-Structure Relationships in Simplified Nuclear Waste Glasses
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journal
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September 2010 |
Soda lime zirconia silicate glasses as prospective hosts for zirconia-containing radioactive wastes
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journal
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April 2005 |
Evidence for 6-Coordinated Zirconium in Inactive Nuclear Waste Glasses
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journal
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August 1999 |
X-ray absorption studies of the local environment of Zr in high-zirconia borosilicate glasses
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journal
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November 1999 |
Differential anomalous wide-angle X-ray scattering and X-ray absorption experiments to investigate the formation of glass ceramics in the CaO–SiO 2 –ZrO 2 system
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journal
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December 1999 |
Evidence for symmetric cationic sites in zirconium-bearing oxide glasses
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journal
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June 2006 |
The structural role of Zr within alkali borosilicate glasses for nuclear waste immobilisation
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journal
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April 2011 |
An enhanced resolution of the structural environment of zirconium in borosilicate glasses
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journal
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December 2013 |
The Structural Properties of Cations in Nuclear Glasses
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journal
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January 2014 |
Boron Speciation in Soda-Lime Borosilicate Glasses Containing Zirconium: Boron Speciation in Soda-Lime Borosilicate Glasses
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journal
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April 2010 |
Zr environment and nucleation role in aluminosilicate glasses
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journal
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February 2015 |
Durability of GFRP bars: a critical review of the literature
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journal
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January 2005 |
Influence of zirconium on the structure of pristine and leached soda-lime borosilicate glasses: Towards a quantitative approach by 17O MQMAS NMR
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journal
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August 2008 |
Insight into silicate-glass corrosion mechanisms
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journal
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October 2008 |
First investigations of the influence of IVB elements (Ti, Zr, and Hf) on the chemical durability of soda-lime borosilicate glasses
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journal
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October 2010 |
Structural evolution of glass surface during alteration: Application to nuclear waste glasses
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journal
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October 2010 |
Why Do Certain Glasses with a High Dissolution Rate Undergo a Low Degree of Corrosion?
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journal
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March 2011 |
Zirconium local environment in simplified nuclear glasses altered in basic, neutral or acidic conditions: Evidence of a double-layered gel
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journal
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January 2019 |
Short- and medium-range structure of amorphous zircon from molecular dynamics simulations
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journal
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December 2006 |
Effect of ZrO2 on the structure and properties of soda-lime silicate glasses from molecular dynamics simulations
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July 2018 |
Fundamental Condition of Glass Formation
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journal
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September 1947 |
Competition for charge compensation in borosilicate glasses: Wide-angle x-ray scattering and molecular dynamics calculations
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journal
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June 2000 |
11B NMR studies and structural modeling of Na2OB2O3SiO2 glasses of high soda content
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journal
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October 1983 |
Nuclear magnetic resonance studies of the glasses in the system Na2OB2O3SiO2
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journal
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March 1978 |
Development of effective empirical potentials for molecular dynamics simulations of the structures and properties of boroaluminosilicate glasses
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journal
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December 2016 |
Bulk, surface structures and properties of sodium borosilicate and boroaluminosilicate nuclear waste glasses from molecular dynamics simulations
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journal
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November 2017 |
The fracture toughness of inorganic glasses
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journal
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September 2017 |
An alternative view of the degradation of bioglass
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journal
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January 1996 |
Bioactive Glasses-Structure and Properties
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journal
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March 2015 |
The split network analysis for exploring composition–structure correlations in multi-component glasses: I. Rationalizing bioactivity-composition trends of bioglasses
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journal
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March 2011 |
Glass dissolution rate measurement and calculation revisited
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journal
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August 2016 |
Forward dissolution rate of silicate glasses of nuclear interest in clay-equilibrated groundwater
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journal
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November 2012 |
Current state of knowledge of nuclear waste glass corrosion mechanisms: the case of R7T7 glass
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January 1992 |
Resumption of Alteration at High Temperature and pH: Rates Measurements and Comparison with Initial Rates
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journal
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January 2014 |
Open Scientific Questions about Nuclear Glass Corrosion
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journal
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January 2014 |
First-Principles Study of Hydrolysis Reaction Barriers in a Sodium Borosilicate Glass
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journal
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November 2013 |
Atomistic computer simulations of water interactions and dissolution of inorganic glasses
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journal
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November 2017 |