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In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Kathryn Deeg, Daiane Damasceno Borges, Daniele Ongari, Nakul Rampal, Leopold Talirz, Aliaksandr V. Yakutovich, Johanna M. Huck, Berend Smit

Version 1 posted 03 February 2020

710

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Materials Science

Working Paper

Taking Lanthanides out of Isolation: Tuning the Optical Properties of Metal-Organic Frameworks

Samantha L. Anderson, Davide Tiana, Christopher Ireland, Gloria Capano, Maria Fumanal, Andrzej Gładysiak, Stavroula Kampouri, Aiman Rahmanudin, Néstor Guijarro, Kevin Sivula, Kyriakos Stylianou, Berend Smit

Version 1 posted 04 February 2020

441

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Catalysis

Working Paper

Sustainable Hydrogenation of Nitroarenes to Anilines with Highly Active In-Situ Generated Copper Nanoparticles

Fatma Pelin Kinik, Tu Ngugen, Mounir Mensi, Christopher Ireland, Kyriakos Stylianou, Berend Smit

Version 1 posted 02 March 2020

585

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Theoretical and Computational Chemistry

Working Paper

Bias Free Multiobjective Active Learning for Materials Design and Discovery

Kevin Maik Jablonka, Giriprasad Melpatti Jothiappan, Shefang Wang, Berend Smit, Brian Yoo

Version 1 posted 09 November 2020

1,069

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Theoretical and Computational Chemistry

Working Paper

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Gloria Capano, Francesco Ambrosio, Stavroula Kampouri, Kyriakos Stylianou, Alfredo Pasquarello, Berend Smit

Version 1 posted 21 January 2020

822

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Organic Chemistry

Working Paper

Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps

Seyed Mohamad Moosavi, Henglu Xu, Linjiang Chen, Andrew I. Cooper, Berend Smit

Version 1 posted 07 February 2020

527

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Theoretical and Computational Chemistry

Working Paper

Using Collective Knowledge to Assign Oxidation States

Kevin Maik Jablonka, Daniele Ongari, Seyed Mohamad Moosavi, Berend Smit

Version 1 posted 17 January 2020

1,345

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6

Citations

Catalysis

Working Paper

Towards optimal photocatalytic hydrogen generation from water using pyrene-based metal-organic frameworks

F. Pelin Kinik, Andres Ortega Guerrero, Fatmah Mish Ebrahim, Christopher P. Ireland, Ozge Kadioglu, Amber Mace, Mehrdad Asgari, Berend Smit

Version 1 posted 02 July 2021

289

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Inorganic Chemistry

Working Paper

Understanding the Diversity of the Metal-Organic Framework Ecosystem

Seyed Mohamad Moosavi, Aditya Nandy, Kevin Maik Jablonka, Daniele Ongari, Jon Paul Janet, Peter G. Boyd, Yongjin Lee, Berend Smit, Heather Kulik

Version 1 posted 07 May 2020

971

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1

Citations

Chemical Education

Working Paper

Making molecules vibrate: Interactive web environment for the teaching of infrared spectroscopy

Kevin Maik Jablonka, Luc Patiny, Berend Smit

Version 1 posted 12 October 2021

981

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Refine Search

31 results in Berend Smit in Authors: Berend Smit

In Silico Discovery of Covalent Organic Frameworks for Carbon Capture

Taking Lanthanides out of Isolation: Tuning the Optical Properties of Metal-Organic Frameworks

Sustainable Hydrogenation of Nitroarenes to Anilines with Highly Active In-Situ Generated Copper Nanoparticles

Bias Free Multiobjective Active Learning for Materials Design and Discovery

On the Electronic and Optical Properties of Metal-Organic Frameworks: Case Study of MIL-125 and MIL-125-NH2

Geometric Landscapes for Material Discovery within Energy-Structure-Function Maps

Using Collective Knowledge to Assign Oxidation States

Towards optimal photocatalytic hydrogen generation from water using pyrene-based metal-organic frameworks

Understanding the Diversity of the Metal-Organic Framework Ecosystem

Making molecules vibrate: Interactive web environment for the teaching of infrared spectroscopy

31 results in Authors: Berend Smit