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A diamond anvil cell with resistive heating for high pressure and high temperature x-ray diffraction and absorption studies

artículo científico publicado en 2008

A switchable iron-based coordination polymer toward reversible acetonitrile electro-optical readout

scientific article published on 20 June 2019

Ab initio carbon capture in open-site metal-organic frameworks

artículo científico publicado en 2012

Accurate Prediction of the S1 Excitation Energy in Solvated Azobenzene Derivatives via Embedded Orbital-Tuned Bethe-Salpeter Calculations

artículo científico publicado en 2020

Accurate Prediction of the S1 Excitation Energy in Solvated Azobenzene Derivatives via Embedded Orbital-Tuned Bethe-Salpeter Calculations

An efficient computational method for use in structural studies of crystals with substitutional disorder

artículo científico publicado en 2010

Biased Spin-State Energetics of Fe(II) Molecular Complexes within Density-Functional Theory and the Linear-Response Hubbard U Correction

artículo científico publicado en 2020

CO2 capture by metal-organic frameworks with van der Waals density functionals

artículo científico publicado en 2012

Concerning the possibility of hidden one-dimensional Fermi surfaces for the K(0.25)WO(3) hexagonal bronze

scientific article published on 01 December 2009

Cooperative insertion of CO2 in diamine-appended metal-organic frameworks

artículo científico publicado en 2015

Divergent Adsorption-Dependent Luminescence of Amino- Functionalized Lanthanide Metal-Organic Frameworks for Highly Sensitive NO2 Sensors

Divergent Adsorption-Dependent Luminescence of Amino-Functionalized Lanthanide Metal-Organic Frameworks for Highly Sensitive NO2 Sensors

artículo científico publicado en 2020

Frontispiece: Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks

Improved Spin-State Energy Differences of Fe(II) Molecular and Crystalline Complexes <i>via</i> the Hubbard <i>U</i>-Corrected Density

artículo científico publicado en 2021

In operando evidence of deoxygenation in ionic liquid gating of YBa2Cu3O7-X.

artículo científico publicado en 2016

Ligand-assisted enhancement of CO2 capture in metal-organic frameworks

artículo científico publicado en 2012

Long-range magnetic order in the porous metal-organic framework Ni(pyrazine)[Pt(CN)4].

artículo científico publicado en 2017

Probing adsorption interactions in metal-organic frameworks using X-ray spectroscopy

artículo científico publicado en 2013

Probing gas adsorption in MOFs using an efficient ab initio widom insertion Monte Carlo method

artículo científico publicado en 2016

Probing the electric field-induced doping mechanism in YBa2Cu3O7 using computed Cu K-edge x-ray absorption spectra

scientific article published on 01 December 2018

Probing the mechanism of CO₂ capture in diamine-appended metal-organic frameworks using measured and simulated X-ray spectroscopy

artículo científico publicado en 2015

Role of Impurities in the Kinetic Persistence of Amorphous Calcium Carbonate: A Nanoscopic Dynamics View

article

The Mechanism of Carbon Dioxide Adsorption in an Alkylamine-Functionalized Metal–Organic Framework

article

Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks

article published in 2018

Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks

Understanding Trends in CO2 Adsorption in Metal-Organic Frameworks with Open-Metal Sites

artículo científico publicado en 2014

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