An Investigation of Density Functionals: The First-Row Transition Metal Dimer Calculations

Journal of Chemical Physics - United States
doi 10.1063/1.480546
Full Text
Abstract

Available in full text

Date
Authors
Publisher

AIP Publishing

Related search

Carbonyl-Carbonyl Interactions in First-Row Transition Metal Complexes

Acta Crystallographica Section A Foundations of Crystallography
2005English

First Row Transition Metal Catalysts for Solar-Driven Water Oxidation Produced by Electrodeposition

Journal of Materials Chemistry A
Materials ScienceChemistrythe EnvironmentSustainabilityRenewable Energy
2016English

Structure, Energetics, and Bonding of First Row Transition Metal Pentazolato Complexes: A DFT Study

English

Systematic Study of First-Row Transition-Metal Diatomic Molecules: A Self-Consistent DFT+U Approach

Journal of Chemical Physics
MedicineTheoretical ChemistryAstronomyPhysicsPhysical
2010English

Discrete-Spectrum Contributions to the Bauche-Arnoult Hyperfine Structure Parameters for the First Row Transition Metal Atoms

Journal de Physique
1984English

First-Principle High-Throughput Calculations of Carrier Effective Masses of Two-Dimensional Transition Metal Dichalcogenides

Journal of Semiconductors
Electronic EngineeringCondensed Matter PhysicsMaterials ChemistryOpticalElectricalMagnetic MaterialsElectronic
2018English

Pseudopotential-Based Correlation Consistent Composite Approach (Rp-ccCA) for First- And Second-Row Transition Metal Thermochemistry

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2015English

Correction to “Evaluating Transition Metal Barrier Heights With the Latest Density Functional Theory Exchange–Correlation Functionals: The MOBH35 Benchmark Database”

Journal of Physical Chemistry A
MedicineTheoretical ChemistryPhysical
2019English

Density Functional Calculations for Liquid Metal Surfaces

Journal of Physics C: Solid State Physics
1983English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2025 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy