Search

5 results in Authors: Husain Adamji

Theoretical and Computational Chemistry

Dynamic Charge Distribution as a Key Driver of Catalytic Reactivity in an Artificial Metalloenzyme

David Kastner, Clorice Reinhardt, Husain Adamji, Melissa Manetsch, Yuriy Roman-Leshkov, Heather Kulik

Version 1 posted 28 May 2024

16

Downloads

Theoretical and Computational Chemistry

Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Ilia Kevlishvili, Roland St. Michel, Aaron Garrison, Jacob Toney, Husain Adamji, Haojun Jia, Heather Kulik

Version 1 posted 06 May 2024

108

Downloads

Insights into the catalytic promotion of propylene self-metathesis over silica-supported molybdenum oxide using substituted olefins

Ran Zhu, Husain Adamji, Zachariah Berkson, Jie Zhu, Ashley Head, Heather Kulik, Christophe Copéret, Yuriy Román-Leshkov

Version 1 posted 08 May 2024

218

Downloads

Computational Discovery of Stable Metal-Organic Frameworks for Methane-to-Methanol Catalysis

Husain Adamji, Aditya Nandy, Ilia Kevlishvili, Yuriy Roman-Leshkov, Heather Kulik

Version 1 posted 31 March 2023

567

Downloads

Theoretical and Computational Chemistry

Large-scale Comparison of Fe and Ru Polyolefin C–H Activation Catalysts

Husain Adamji, Ilia Kevlishvili, Aditya Nandy, Yuriy Roman-Leshkov, Heather Kulik

Version 1 posted 29 November 2023

225

Downloads