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Sudabeh Jawahery

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Related publications (8)

Please note that this is not a complete list of this person’s publications. It includes only semantically relevant works. For a full list, please refer to Infoscience.

Buffered Coordination Modulation as a Means of Controlling Crystal Morphology and Molecular Diffusion in an Anisotropic Metal-Organic Framework

Berend Smit, Sudabeh Jawahery

Significant advances have been made in the synthesis of chemically selective environments within metal-organic frameworks, yet materials development and industrial implementation have been hindered by the inability to predictively control crystallite size ...

AMER CHEMICAL SOC2021

Ab Initio Flexible Force Field for Metal-Organic Frameworks Using Dummy Model Coordination Bonds

Berend Smit, Seyedmohamad Moosavi, Matthew David Witman, Sudabeh Jawahery, Nakul Rampal

We present force fields developed from periodic density functional theory (DFT) calculations that can be used in classical molecular simulations to model M MOF-74 (M = Co, Fe, Mg, Mn, Ni, Zn) and its extended linker analogs. Our force fields are based on c ...

2019

Preserving Porosity of Mesoporous Metal-Organic Frameworks through the Introduction of Polymer Guests

Mohammad Khaja Nazeeruddin, Berend Smit, Wendy Lee Queen, Emad Oveisi, Aron Joel Huckaba, Seyedmohamad Moosavi, Shuliang Yang, Li Peng, Mehrdad Asgari, Sudabeh Jawahery

High internal surface areas, an asset that is highly sought after in material design, has brought metal-organic frameworks (MOFs) to the forefront of materials research. In fact, a major focus in the field is on creating innovative ways to maximize MOF sur ...

2019