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The Journal of Physical Chemistry Letters
|
April 21, 2021
Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study
Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, et al.
The Journal of Chemical Physics
|
December 24, 2018
Probing the electric field-induced doping mechanism in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>7</sub> using computed Cu K-edge x-ray absorption spectra
Roberta Poloni, A Lorenzo Mariano, David Prendergast, et al.
Journal of Chemical Theory and Computation
|
February 26, 2020
Accurate Prediction of the S<sub>1</sub> Excitation Energy in Solvated Azobenzene Derivatives via Embedded Orbital-Tuned Bethe-Salpeter Calculations
Aseem Rajan Kshirsagar, Gabriele D'Avino, Xavier Blase, et al.
Journal of Chemical Theory and Computation
|
December 21, 2025
Failure of Hund's J in Contemporary DFT+U+J: Insights from Spin-Crossover Fe(II) Complexes
Lórien MacEnulty, João Paulo Almeida de Mendonça, Roberta Poloni, et al.
The Journal of Physical Chemistry Letters
|
August 15, 2015
Understanding Trends in CO2 Adsorption in Metal-Organic Frameworks with Open-Metal Sites
Roberta Poloni, Kyuho Lee, Robert F Berger, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 16, 2018
Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks
Chi-Ta Yang, Aseem Rajan Kshirsagar, Azzam Charaf Eddin, et al.
Journal of Chemical Theory and Computation
|
October 16, 2023
Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes
João Paulo Almeida de Mendonça, Lorenzo Antonio Mariano, Emilie Devijver, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
October 18, 2021
Tunable Proton Conductivity and Color in a Nonporous Coordination Polymer via Lattice Accommodation to Small Molecules
Aysegul Develioglu, Esther Resines-Urien, Roberta Poloni, et al.
The Review of Scientific Instruments
|
December 3, 2008
A diamond anvil cell with resistive heating for high pressure and high temperature x-ray diffraction and absorption studies
Sebastien Pasternak, Giuliana Aquilanti, Sakura Pascarelli, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2017
Long-range magnetic order in the porous metal-organic framework Ni(pyrazine)[Pt(CN)<sub>4</sub>]
J Alberto Rodríguez-Velamazán, Olivier Roubeau, Roberta Poloni, et al.
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of 4
Search research articles
Search
Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
The Journal of Physical Chemistry Letters
|
April 21, 2021
Strongly Bound Excitons in Metal-Organic Framework MOF-5: A Many-Body Perturbation Theory Study
Aseem Rajan Kshirsagar, Xavier Blase, Claudio Attaccalite, et al.
The Journal of Chemical Physics
|
December 24, 2018
Probing the electric field-induced doping mechanism in YBa<sub>2</sub>Cu<sub>3</sub>O<sub>7</sub> using computed Cu K-edge x-ray absorption spectra
Roberta Poloni, A Lorenzo Mariano, David Prendergast, et al.
Journal of Chemical Theory and Computation
|
February 26, 2020
Accurate Prediction of the S<sub>1</sub> Excitation Energy in Solvated Azobenzene Derivatives via Embedded Orbital-Tuned Bethe-Salpeter Calculations
Aseem Rajan Kshirsagar, Gabriele D'Avino, Xavier Blase, et al.
Journal of Chemical Theory and Computation
|
December 21, 2025
Failure of Hund's J in Contemporary DFT+U+J: Insights from Spin-Crossover Fe(II) Complexes
Lórien MacEnulty, João Paulo Almeida de Mendonça, Roberta Poloni, et al.
The Journal of Physical Chemistry Letters
|
August 15, 2015
Understanding Trends in CO2 Adsorption in Metal-Organic Frameworks with Open-Metal Sites
Roberta Poloni, Kyuho Lee, Robert F Berger, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
August 16, 2018
Tuning Gas Adsorption by Metal Node Blocking in Photoresponsive Metal-Organic Frameworks
Chi-Ta Yang, Aseem Rajan Kshirsagar, Azzam Charaf Eddin, et al.
Journal of Chemical Theory and Computation
|
October 16, 2023
Artificial Neural Network-Based Density Functional Approach for Adiabatic Energy Differences in Transition Metal Complexes
João Paulo Almeida de Mendonça, Lorenzo Antonio Mariano, Emilie Devijver, et al.
Advanced Science (Weinheim, Baden-Wurttemberg, Germany)
|
October 18, 2021
Tunable Proton Conductivity and Color in a Nonporous Coordination Polymer via Lattice Accommodation to Small Molecules
Aysegul Develioglu, Esther Resines-Urien, Roberta Poloni, et al.
The Review of Scientific Instruments
|
December 3, 2008
A diamond anvil cell with resistive heating for high pressure and high temperature x-ray diffraction and absorption studies
Sebastien Pasternak, Giuliana Aquilanti, Sakura Pascarelli, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2017
Long-range magnetic order in the porous metal-organic framework Ni(pyrazine)[Pt(CN)<sub>4</sub>]
J Alberto Rodríguez-Velamazán, Olivier Roubeau, Roberta Poloni, et al.
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of 4