Arrangement in La1/3NbO3 Obtained by First-Principles Density Functional Theory With Cluster Expansion and Monte Carlo Simulation

doi 10.1021/acs.jpcc.0c01350.s001
Full Text
Abstract

Available in full text

Date

Unknown

Authors

Unknown

Publisher

American Chemical Society (ACS)

Related search

Resolving the CO/CN Ligand Arrangement in CO-Inactivated [FeFe] Hydrogenase by First Principles Density Functional Theory Calculations

English

Doping Properties of Monoclinic BiVO4studied by First-Principles Density-Functional Theory

Physical Review B
2011English

Multilayer Adsorption by Monte Carlo Simulation

Physica A: Statistical Mechanics and its Applications
StatisticsCondensed Matter PhysicsProbability
2012English

Descriptors for Dielectric Constants of Perovskite-Type Oxides by Materials Informatics With First-Principles Density Functional Theory

Science and Technology of Advanced Materials
Materials Science
2020English

Morphology and Surface Structure of Cubic BaTiO3 Using First-Principles Density Functional Theory

Journal of the Ceramic Society of Japan
Materials ChemistryChemistryCondensed Matter PhysicsCompositesCeramics
2013English

Monte Carlo Simulation in Intralogistics

MEST Journal
2014English

Reliability Estimation by Advanced Monte Carlo Simulation

Springer Series in Reliability Engineering
QualityReliabilitySafetyRisk
2010English

Electronic and Optical Properties of Rocksalt CdO: A First-Principles Density-Functional Theory Study

Modeling and Numerical Simulation of Material Science
2013English

Preferential Interaction Between DNA and Small Ions in Mixed-Size Counterion Systems: Monte Carlo Simulation and Density Functional Study

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2007English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2024 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy