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Publications by Jeffrey B. Neaton
Probing Adsorption Interactions in Metal–Organic Frameworks Using X-Ray Spectroscopy
Journal of the American Chemical Society
Biochemistry
Colloid
Catalysis
Chemistry
Surface Chemistry
A Reversible Single-Molecule Switch Based on Activated Antiaromaticity
Science advances
Multidisciplinary
Cooperative Carbon Dioxide Adsorption in Alcoholamine- And Alkoxyalkylamine-Functionalized Metal-Organic Frameworks
Angewandte Chemie - International Edition
Catalysis
Chemistry
Simultaneous Determination of Structures, Vibrations, and Frontier Orbital Energies From a Self-Consistent Range-Separated Hybrid Functional
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
Harnessing Chemical Raman Enhancement for Understanding Organic Adsorbate Binding on Metal Surfaces
Journal of Physical Chemistry Letters
Materials Science
Nanotechnology
Physical
Theoretical Chemistry
Nanoscience
An Automatically Curated First-Principles Database of Ferroelectrics
Scientific data
Statistics
Probability
Information Sciences
Uncertainty
Library
Information Systems
Computer Science Applications
Education
Ab Initiophonon Dispersion in Crystalline Naphthalene Using Van Der Waals Density Functionals
Physical Review B
Optical
Electronic
Condensed Matter Physics
Magnetic Materials
Assessing DFT-D3 Damping Functions Across Widely Used Density Functionals: Can We Do Better?
Journal of Chemical Theory and Computation
Theoretical Chemistry
Computer Science Applications
Physical
Effect of Reduced Dimensionality on the Optical Band Gap of SrTiO3
Applied Physics Letters
Astronomy
Physics
CO2Capture by Metal–Organic Frameworks With Van Der Waals Density Functionals
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
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