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List of works by Roberta Poloni

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

scientific article

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

scientific article published on 19 August 2012

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

scientific article published on 04 March 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

scientific article published on 23 September 2010

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

scientific article published on 27 October 2020

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

scientific article published on 7 May 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

scientific article

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

scientific article published on 20 March 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

scientific article published on 15 April 2021

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

scientific article published on 27 December 2016

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

scientific article published on 10 April 2012

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

scientific article published on 23 October 2017

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

scientific article

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

scientific article

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

scientific article

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

scientific article published on 17 February 2014

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