Evaluation of Green Biobased Plasticizers in Poly(vinyl chloride): Sustainability, Thermal Behavior, Mechanical Properties, and Durability
ACS Applied Polymer Materials
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Total revalorization of high impact polystyrene (HIPS): enhancing styrene recovery and upcycling of the rubber phase
Green Chemistry
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Simple Molecular Model for Hydrated Silicate Ionic Liquids, a Realistic Zeolite Precursor
Chemistry of Materials
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A molecular understanding of citrate adsorption on calcium oxalate polyhydrates
Physical Chemistry Chemical Physics
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A molecular understanding of citrate adsorption on calcium oxalate polyhydrates
Physical Chemistry Chemical Physics
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Elucidating the impact of chemical variability on the nano-structure of Fe-rich slags
Journal of Non-Crystalline Solids
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Total revalorization of high impact polystyrene (HIPS): enhancing styrene recovery and upcycling of the rubber phase
Green Chemistry
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Development of accurate potentials for the physisorption of water on graphene
The Journal of Chemical Physics
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Development of accurate potentials for the physisorption of water on graphene
The Journal of Chemical Physics
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Opportunities given by density functional theory in pathological calcifications
Comptes Rendus Chimie
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Synergistic Effects in the Activity of Nano‐Transition‐Metal Clusters Pt12M (M=Ir, Ru or Rh) for NO Dissociation
ChemPhysChem
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Synergistic Effects in the Activity of Nano-Transition-Metal Clusters Pt12M (M=Ir, Ru or Rh) for NO Dissociation
ChemPhysChem
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Nanostructured materials and heterogeneous catalysis: a succinct review regarding DeNox catalysis
Comptes Rendus. Chimie
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Nanostructured materials and heterogeneous catalysis: a succinct review regarding DeNox catalysis
Comptes Rendus Chimie
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Rules all PIs should follow
Science
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Rules all PIs should follow
Science
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A sustainable way of recycling polyamides: dissolution and ammonolysis of polyamides to diamines and diamides using ammonia and biosourced glycerol
Green Chemistry
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A sustainable way of recycling polyamides: dissolution and ammonolysis of polyamides to diamines and diamides using ammonia and biosourced glycerol
Green Chemistry
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Communicate regularly
Science
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Cover Feature: Synergistic Effects in the Activity of Nano‐Transition‐Metal Clusters Pt12M (M=Ir, Ru or Rh) for NO Dissociation (ChemPhysChem 21/2022)
ChemPhysChem
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Study on the biological behaviors of Ca-P coatings with different morphology on carbon/carbon composites
Materials Science and Engineering: C
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Study on the biological behaviors of Ca P coatings with different morphology on carbon/carbon composites
Materials Science and Engineering: C
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Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture
Nanomaterials
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Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture
Nanomaterials
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Grand Canonical Monte Carlo Simulations to Determine the Optimal Interlayer Distance of a Graphene Slit-Shaped Pore for Adsorption of Methane, Hydrogen and their Equimolar Mixture
Nanomaterials
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In Search of an Efficient Complexing Agent for Oxalates and Phosphates: A Quantum Chemical Study
Nanomaterials
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In Search of an Efficient Complexing Agent for Oxalates and Phosphates: A Quantum Chemical Study
Nanomaterials
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In Search of an Efficient Complexing Agent for Oxalates and Phosphates: A Quantum Chemical Study
Nanomaterials
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Lanthanum carbonate to control plasma and urinary oxalate level in type 1 primary hyperoxaluria?
IJU Case Reports
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Opportunities given by density functional theory in pathological calcifications
Comptes Rendus. Chimie
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Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study
Physical Chemistry Chemical Physics
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Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study
Physical Chemistry Chemical Physics
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Unravelling phosphate adsorption on hydrous ferric oxide surfaces at the molecular level
Chemosphere
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Unravelling phosphate adsorption on hydrous ferric oxide surfaces at the molecular level
Chemosphere
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Morphology of Calcium Oxalate Polyhydrates: A Quantum Chemical and Computational Study
Crystal Growth & Design
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Morphology of Calcium Oxalate Polyhydrates: A Quantum Chemical and Computational Study
Crystal Growth & Design
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A subtle balance between interchain interactions and surface reconstruction at the origin of the alkylthiol/Au(111) self-assembled monolayer geometry
Surface Science
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A subtle balance between interchain interactions and surface reconstruction at the origin of the alkylthiol/Au(111) self-assembled monolayer geometry
Surface Science
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One Step Further in the Elucidation of the Crystallographic Structure of Whitlockite
Crystal Growth & Design
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One Step Further in the Elucidation of the Crystallographic Structure of Whitlockite
Crystal Growth & Design
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Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry
Nanomaterials
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Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry
Nanomaterials
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Modeling of Complex Interfaces: From Surface Chemistry to Nano Chemistry
Nanomaterials
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Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies
The Journal of Physical Chemistry C
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Flexibility in the Graphene Sheet: The Influence on Gas Adsorption from Molecular Dynamics Studies
The Journal of Physical Chemistry C
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Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study
Frontiers in Chemistry
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Molecular Dynamics of CH4/N2 Mixtures on a Flexible Graphene Layer: Adsorption and Selectivity Case Study
Frontiers in Chemistry
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Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations
ChemPhysChem
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Modeling the Interaction of Carbon Monoxide with Flexible Graphene: From Coupled Cluster Calculations to Molecular-Dynamics Simulations
ChemPhysChem
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Nitrogen Gas on Graphene: Pairwise Interaction Potentials
book-chapter
Nitrogen Gas on Graphene: Pairwise Interaction Potentials
Lecture Notes in Computer Science
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Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks
Physical Chemistry Chemical Physics
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Potential models for the simulation of methane adsorption on graphene: development and CCSD(T) benchmarks