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Late-Stage Fluorosulfurylation using Sulfuryl Fluoride Bound within a Metal–Organic Framework

E. E. Stacy, P. L. Burch, J. Randrianandraina, M. A. Fontaine, M. C. Eaton, J. Kim, L. Aeindartehran, Akash K. Ball, M. I. Gonzalez, Heather J. Kulik, T. Runčevski, M. E. Abbasov, J.-H. Lee, P. J. Milner

Molecular Design of Electrically Conductive Two-Dimensional Polyaramids

Z. Wei, B. H. Kang, Changhwan Oh, A. Cheng, Y. Zhang, C. L. Ritt, S. Amirabadi, S. Yang, S. S. Garimella, H. Kang, Heather J. Kulik, M. S. Strano

Evaluating Large Language Models in Scientific Discovery

Zhangde Song, Jieyu Lu, Yuanqi Du, Botao Yu, Thomas M. Pruyn, Yue Huang, Kehan Guo, Xiuzhe Luo, Yuanhao Qu, Yi Qu, Yinkai Wang, Haorui Wang, Jeff Guo, Jingru Gan, Parshin Shojaee, Di Luo, Andres M Bran, Gen Li, Qiyuan Zhao, Shao-Xiong Lennon Luo, Yuxuan Zhang, Xiang Zou, Wanru Zhao, Yifan F. Zhang, Wucheng Zhang, Shunan Zheng, Saiyang Zhang, Sartaaj Takrim Khan, Mahyar Rajabi-Kochi, Samantha Paradi-Maropakis, Tony Baltoiu, Fengyu Xie, Tianyang Chen, Kexin Huang, Weiliang Luo, Meijing Fang, Xin Yang, Lixue Cheng, Jiajun He, Soha Hassoun, Xiangliang Zhang, Wei Wang, Chandan K. Reddy, Chao Zhang, Zhiling Zheng, Mengdi Wang, Le Cong, Carla P. Gomes, Chang-Yu Hsieh, Aditya Nandy, Philippe Schwaller, Heather J. Kulik, Haojun Jia, Huan Sun, Seyed Mohamad Moosavi, Chenru Duan

Diazirine-based crosslinking of amorphous organic iono-electronic conductors for thermo-chemical stability in electrochemical devices

H. Roh, S. Bagatella, Shuwen Yue, A. Seshadri, Changhwan Oh, C.E. Cunin, M. Cavallaro, M. Levi, Heather J. Kulik, Aristide Gumyusenge

Modeling Polymer Aging and Transport in Solvent Environments with Symbolic Regression

Matt Rivera, Heather J. Kulik, Zachary P. Smith

Exploring Transition Metal Complexes with Large Language Models

Here we use a large language model for the exploration of chemical space of transition metal complexes (TMCs), fine-tuning the …

Yunsheng Liu, Joseph Cavanagh, Kunyang Sun, Jacob W. Toney, Chung-Yueh Yuan, Andrew Smith, Roland St. Michel, Paul Graggs, F. Dean Toste, Heather J. Kulik, Teresa Head-Gordon

Endergonic mechanoradical-driven C(sp³)-C(sp²) coupling with unactivated arenes

X. Gu, T. Wang, Fangzi Liu, Y. Huang, P. Yu, Heather J. Kulik, K.K. Yan

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

Miniature artificial metalloenzymes such as mimochromes, which consist of a heme center protected by an upper and lower helix, provide …

David Kastner, Linda Leone, Clorice Reinhardt, Husain Adamji, Melissa Manetsch, Alessandra Esposito, Flavia Nastri, Yuriy Roman-Leshkov, Angela Lombardi, Heather J. Kulik

Photochemical Fluoroalkylations with Fluorinated Gases Facilitated by a Robust Metal-Organic Framework

J. He, J. Randrianandraina, Husain Adamji, V. Chang, Y. Lai, T. N. Nguyen, Yuriy Roman-Leshkov, Heather J. Kulik, J.-H. Lee, P. J. Milner

Confined Solvents Generate Unique Local Electric Fields at Lewis Acid Zeolite Active Sites

B. A. Johnson, B. Dinkar, E. J. Wu, Husain Adamji, Heather J. Kulik, Mircea Dinca, Yuriy Roman-Leshkov