Discover open access scientific publications

Search, annotate, share and cite publications

Publications by R. Caracas

Elasticity of AlFeO3and FeAlO3perovskite and Post-Perovskite From First-Principles Calculations

Geophysical Research Letters

Planetary Sciences

English

Pressure‐induced Coordination Changes in a Pyrolitic Silicate Melt From Ab Initio Molecular Dynamics Simulations

Journal of Geophysical Research: Solid Earth

Planetary Sciences

Planetary Science

English

Related publications

Ignition Threshold of Perovskite-Based Oxides for Solid Fuel Oxidation From First-Principles Calculations

English

Ethylammonium as an Alternative Cation for Efficient Perovskite Solar Cells From First-Principles Calculations

Chemical Engineering

English

Thermal Conductivity of Half-Heusler Compounds From First-Principles Calculations

Physical Review B

English

Electronic Properties of Y2C3by First-Principles Calculations

Journal of the Physical Society of Japan

English

A New Superhard Phase and Physical Properties of ZrB3 From First-Principles Calculations

Materials Science

Condensed Matter Physics

English

Insight Into the Electronic and Thermodynamic Properties of NbSi2 From First-Principles Calculations

Chemical Engineering

English

Allotropes of Tellurium From First-Principles Crystal Structure Prediction Calculations Under Pressure

Chemical Engineering

English

Oscillatory Thermopower of Carbon Chains: First-Principles Calculations

Physical Review B

English

Interpretation of NH3-TPD Profiles From Cu-Cha Using First-Principles Calculations

Topics in Catalysis

English