Department of Chemistry, University of Pittsburgh
Ph.D., Louisiana State University, 2020

Dr. Xin Gui is an assistant professor in the Department of Chemistry at the University of Pittsburgh. He received his Ph.D. degree from Louisiana State University with Prof. Weiwei Xie and did his postdoc work with Prof. Robert J. Cava at Princeton University. As a solid-state chemistry people, his work is mainly about design and synthesis of novel quantum materials in chemistry ways, such as superconductors, magnetic topological materials, quantum spin liquids, etc. Moreover, connecting these new quantum materials with real-life applications (quantum computers, spintronic devices, heterogeneous catalysis etc.) is another major direction of his research.

Selected Publications: 
  1. “LaIr 3 Ga 2 : A Superconductor based on a Kagome Lattice of Ir.” Gui, X.; Cava, R. J. Chem. Mater. 
  2. “Ferromagnetic Cr 4 PtGa 17 : A Half-Heusler-Type Compound with a Breathing Pyrochlore Lattice.” Gui, X.; Feng, E.; Cao, H.; Cava, R. J. J. Am. Chem. Soc.
  3. “A Novel Magnetic Material by Design: Observation of Yb 3+ with Spin-1/2 in Yb x Pt 5 P.” Gui, X.; Chang, T.-R.; Wei, K.; Daum, M. J.; Graf, D. E.; Baumbach, R. E.; Mourigal, M.; Xie, W. ACS Cent. Sci.
  4. “Design and Synthesis of a New Layered Rare-Earth-Free Ferromagnet: MnPt5 As.” Gui, X.; Xie, W. Chem. Mater.
  5. “A New Magnetic Topological Quantum Material Candidate by Design.” Gui, X.; Pletikosic, I.; Cao, H.; Tien, H.J.; Xu, X.; Zhong, R.; Wang, G.; Chang, T.R.; Jia, S.; Valla, T.; Xie, W.; Cava, R. J. ACS Cent. Sci.
Most Cited Publications
  1. "A new magnetic topological quantum material candidate by design." Xin Gui, Ivo Pletikosic, Huibo Cao, Hung-Ju Tien, Xitong Xu, Ruidan Zhong, Guangqiang Wang, Tay-Rong Chang, Shuang Jia, Tonica Valla, Weiwei Xie, Robert J Cava. ACS Central Science.
  2. "Crystal growth and quantum oscillations in the topological chiral semimetal CoSi." Xitong Xu, Xirui Wang, Tyler A. Cochran, Daniel S. Sanchez, Guoqing Chang, Ilya Belopolski, Guangqiang Wang, Yiyuan Liu, Hung-Ju Tien, Xin Gui, Weiwei Xie, M. Zahid Hasan, Tay-Rong Chang, and Shuang Jia. Physical Review B.
  3. "Magnetic order induces symmetry breaking in the single-crystalline orthorhombic CuMnAs semimetal." Eve Emmanouilidou, Huibo Cao, Peizhe Tang, Xin Gui, Chaowei Hu, Bing Shen, Junyi Wu, Shou-Cheng Zhang, Weiwei Xie, Ni Ni. Physical Review B.
  4. "Enhanced anomalous Hall effect in the magnetic topological semimetal Co3Sn2-xInxS2." Huibin Zhou, Guoqing Chang, Guangqiang Wang, Xin Gui, Xitong Xu, Jia-Xin Yin, Zurab Guguchia, Songtian S. Zhang, Tay-Rong Chang, Hsin Lin, Weiwei Xie, M. Zahid Hasan, and Shuang Jia. Physical Review B.
  5. "Quantum oscillation evidence for a topological semimetal phase in ZrSnTe." Jin Hu, Yanglin Zhu, Xin Gui, David Graf, Zhijie Tang, Weiwei Xie, Zhiqiang Mao. Physical Review B.  
Recent Publications
  1. "Multiple mobile excitons manifested as sidebands in quasi-one-dimensional metallic TaSe3." Junzhang Ma, Simin Nie, Xin Gui, Muntaser Naamneh, Jasmin Jandke, Chuanying Xi, Jinglei Zhang, Tian Shang, Yimin Xiong, Itzik Kapon, Neeraj Kumar, Yona Soh, Daniel Gosálbez-Martínez, Oleg V Yazyev, Wenhui Fan, Hannes Hübener, Umberto De Giovannini, Nicholas Clark Plumb, Milan Radovic, Michael Andreas Sentef, Weiwei Xie, Zhijun Wang, Christopher Mudry, Markus Müller, Ming Shi. Nature Materials.
  2. "Metal-Insulator Transition and Anomalous Lattice Parameters Changes in Ru-doped VO2." Xin Gui, Robert J Cava. arXiv preprint arXiv:2203.14160
  3. "Twist-angle effects on the quantum transport in twisted bilayer WTe2 devices." Yue Tang, Yanyu Jia, Pengjie Wang, Guo Yu, Ratnadwip Singha, Xin Gui, Kenji Watanabe, Takashi Taniguchi, Robert Cava, Leslie Schoop, Sanfeng Wu. Bulletin of the American Physical Society
  4. "Characterization and Quantum Transport of Small-Angle Twisted Bilayer WTe2." Guo Yu, Pengjie Wang, Yanyu Jia, Xin Gui, Ratnadwip Singha, Kenji Watanabe, Takashi Taniguchi, Leslie Schoop, Robert Cava, Sanfeng Wu. Bulletin of the American Physical Society.
  5. "A New Superconductor with Ir Kagome Lattice." Xin Gui, Robert Cava. Bulletin of the American Physical Society
Department of Chemistry, University of Pittsburgh
Ph.D., Massachusetts Institute of Technology, 2018

Wes is a new assistant professor in the Department of Chemistry at the University of Pittsburgh, and the Transue lab will focus on the use of inorganic synthesis to investigate the role of molecules in the second quantum revolution. Careful metal selection and ligand design will allow a methodical approach to preparation of molecules with desirable optical and magnetic properties, such as the DiVincenzo criteria for quantum bits (“qubits”). Experimental characterization of these molecules will be central to defining the electronic structure, and a major focus of the lab will involve investigations of the ground and excited states using electron paramagnetic resonance (EPR) and magnetic circular dichroism (MCD) spectroscopies. 

Most Cited Publications
  1. "[Ir(N^N^N)(C^N)L]+: A New Family of Luminophores Combining Tunability and Enhanced Photostability." Danielle N Chirdon, Wesley J Transue, Husain N Kagalwala, Aman Kaur, Andrew B Maurer, Tomislav Pintauer, Stefan Bernhard. Inorganic chemistry.
  2. "Mechanism and scope of phosphinidene transfer from dibenzo-7-phosphanorbornadiene compounds." Wesley J Transue, Alexandra Velian, Matthew Nava, Cristina García-Iriepa, Manuel Temprado, Christopher C Cummins. Journal of the American Chemical Society.
  3. "Highly Fluorinated Ir(III)–2,2′:6′,2″-Terpyridine–Phenylpyridine–X Complexes via Selective C–F Activation: Robust Photocatalysts for Solar Fuel Generation and Photoredox Catalysis." Jonathan A Porras, Isaac N Mills, Wesley J Transue, Stefan Bernhard. Journal of the American Chemical Society.
  4. "Kinetic analysis of amino acid radicals formed in H2O2-driven CuI LPMO reoxidation implicates dominant homolytic reactivity." Stephen M Jones, Wesley J Transue, Katlyn K Meier, Bradley Kelemen, Edward I Solomon. Proceedings of the National Academy of Sciences.
  5. "Spectroscopic Characterization, Computational Investigation, and Comparisons of ECX (E = As, P, and N; X = S and O) Anions." Gao-Lei Hou, Bo Chen, Wesley J Transue, Zheng Yang, Hansjörg Grützmacher, Matthias Driess, Christopher C Cummins, Weston Thatcher Borden, Xue-Bin Wang. Journal of the American Chemical Society.
Recent Publications
  1. "The three-spin intermediate at the O–O cleavage and proton-pumping junction in heme–Cu oxidases." Anex Jose, Andrew W Schaefer, Antonio C Roveda Jr, Wesley J Transue, Sylvia K Choi, Ziqiao Ding, Robert B Gennis, Edward I Solomon. Science.
  2. "31P NMR Chemical Shift Tensors: Windows into Ruthenium Phosphinidene Complex Electronic Structures." Wesley J Transue, Yizhe Dai, Martin-Louis Y Riu, Gang Wu, Christopher C Cummins. Inorganic Chemistry.
  3. "An Azophosphine Synthetic Equivalent of Mesitylphosphaazide and Its 1,3-Dipolar Cycloaddition Reactions." Martin-Louis Y Riu, Wesley J Transue, Jan M Rall, Christopher C Cummins. Journal of the American Chemical Society.
  4. "A Thioether-Ligated Cupric Superoxide Model with Hydrogen Atom Abstraction Reactivity." Mayukh Bhadra, Wesley J Transue, Hyeongtaek Lim, Ryan E Cowley, Jung Yoon C Lee, Maxime A Siegler, Patrick Josephs, Gerald Henkel, Markus Lerch, Siegfried Schindler, Adam Neuba, Keith O Hodgson, Britt Hedman, Edward I Solomon, Kenneth D Karlin. Journal of the American Chemical Society.
  5. "Synthesis of an Anthracene-Based Macrocyclic Diphosphine Ligand." Martin-Louis Y Riu, Wesley J Transue, Ioana Knopf, Christopher C Cummins. Organometallics.
Department of Chemistry, Carnegie Mellon University
PhD, Theoretical Chemistry, Jackson State University

The Isayev lab works at the interface of theoretical chemistry, pharmaceutical sciences and computer science. In particular, we are using molecular simulations and artificial intelligence (AI) to solve hard problems in chemistry. We are working towards the acceleration of molecular discovery by the combination of AI, informatics and high-throughput quantum chemistry. We also focus on both generative and predictive ML models for chemical and biological data. Details on specific projects can be found below.

Accelerating computational chemistry with deep learning: We are developing fully transferable deep learning potentials for molecular and materials systems. Such atomistic potentials are highly accurate compared to reference QM calculations at speeds 107faster. Neural network potentials are shown to accurately represent the underlying physical chemistry of molecules through various test cases including chemical reactions, kinetics, thermochemistry, structural optimization, and molecular dynamics simulations.

Materials informatics: Material informatics is a rapidly emerging data- and knowledge-driven approach for the identification of novel materials for a range of applications, including solar energy conversion. As the proliferation of high-throughput methods in chemical sciences is increasing the wealth of data in the field, the gap between accumulated-information and derived knowledge widens. We address the issue of scientific discovery in chemical and biological databases by introducing novel analytical approaches based on large-scale data mining and machine learning.

De Novo molecular design: The de novo molecular design problem involves generating novel molecular structures or focused molecular libraries with desirable properties. It solves a so-called inverse design problem. We develop artificial intelligence method that enables the design of chemical libraries with the desired physicochemical and biological properties or both.

Most Cited Publications
  1. "Machine learning for molecular and materials science," Keith T Butler, Daniel W Davies, Hugh Cartwright, Olexandr Isayev, Aron Walsh. Nature, 559, 547-555 (2018)
  2. "ANI-1: an extensible neural network potential with DFT accuracy at force field computational cost," Justin S Smith, Olexandr Isayev, Adrian E Roitberg. Chemical science, 8, 3192-3203 (2017)
  3. "Universal fragment descriptors for predicting properties of inorganic crystals," Olexandr Isayev, Corey Oses, Cormac Toher, Eric Gossett, Stefano Curtarolo, Alexander Tropsha. Nature communications, 8, 1-12 (2017)
  4. "Materials cartography: representing and mining materials space using structural and electronic fingerprints," Olexandr Isayev, Denis Fourches, Eugene N Muratov, Corey Oses, Kevin Rasch, Alexander Tropsha, Stefano Curtarolo. Chemistry of Materials, 27, 735-743 (2015)
  5. "Deep reinforcement learning for de novo drug design," Mariya Popova, Olexandr Isayev, Alexander Tropsha. Science advances, 4, eaap7885 (2018)
Recent Publications
  1. "Crowdsourced mapping of unexplored target space of kinase inhibitors," Anna Cichonska, Balaguru Ravikumar, Robert J Allaway, Sungjoon Park, Fangping Wan, Olexandr Isayev, Shuya Li, Michael J Mason, Andrew Lamb, Minji Jeon, Sunkyu Kim, Mariya Popova, Jianyang Zeng, Kristen Dang, Gregory Koytiger, Jaewoo Kang, Carrow I Wells, Timothy M Willson, Tudor I Oprea, Avner Schlessinger, David H Drewry, Gustavo A Stolovitzky, Krister Wennerberg, Justin Guinney, Tero Aittokallio. bioRxiv, (2020)
  2. "Predicting Thermal Properties of Crystals Using Machine Learning," Sherif Abdulkader Tawfik, Olexandr Isayev, Michelle JS Spencer, David A Winkler. Advanced Theory and Simulations, 1900208, (2019)
  3. "Impressive computational acceleration by using machine learning for 2-dimensional super-lubricant materials discovery," Marco Fronzi, Mutaz Abu Ghazaleh, Olexandr Isayev, David A Winkler, Joe Shapter, Michael J Ford. arXiv preprint arXiv, 1911.11559 (2019)
  4. "The ANI-1ccx and ANI-1x data sets, coupled-cluster and density functional theory properties for molecules," Justin S Smith, Roman Zubatyuk, Benjamin T Nebgen, Nicholas Lubbers, Kipton Barros, Adrian Roitberg, Olexandr Isayev, Sergei Tretiak. ChemRxiv (2019)
  5. "Inter-Modular Linkers play a crucial role in governing the biosynthesis of non-ribosomal peptides," Sherif Farag, Rachel M Bleich, Elizabeth A Shank, Olexandr Isayev, Albert A Bowers, Alexander Tropsha. Bioinformatics, 35, 3584-3591, (2019)
Department of Chemistry, Physics, and Engineering, Chicago State University
Ph.D. Chemistry, University of Notre Dame, 2012

Understanding binding and structural properties of nanostructures that have important implications for increasing storage capacity in molecular electronics, minimizing high temperature destabilizing effects in energy systems, and maintaining bioactivity of bound molecules in biosensors are topics of interest in the group.  DNA origami nano technology, scanning microscopy (SEM and AFM), and electrochemistry are applicable techniques.

Department of Chemistry, University of Pittsburgh
University of Michigan, Ph.D. Chemistry, 2003

Our research involves the design and synthesis of novel hybrid inorganic-organic-biomolecule materials and studying, understanding, and precisely controlling their structures and properties. This research encompasses organic and inorganic synthesis, coordination chemistry, solid-state chemistry, biomolecule assembly, and nanoparticle synthesis and assembly.  We are particular motivated by applications related to the porosity of metal-organic framework materials (e.g. gas storage and separations) and the unique collective plasmonic properties of peptide-nanoparticle assemblies.

Most Cited Publications
  1. "Systematic design of pore size and functionality in isoreticular MOFs and their application in methane storage." Mohamed Eddaoudi, Jaheon Kim, Nathaniel Rosi, David Vodak, Joseph Wachter, Michael O'Keeffe, Omar M Yaghi. Science.
  2. "Nanostructures in biodiagnostics." Nathaniel L Rosi, Chad A Mirkin. Chemical reviews.
  3. "Hydrogen storage in microporous metal-organic frameworks." Nathaniel L Rosi, Juergen Eckert, Mohamed Eddaoudi, David T Vodak, Jaheon Kim, Michael O'Keeffe, Omar M Yaghi. Science.
  4. "Rod packings and metal− organic frameworks constructed from rod-shaped secondary building units." Nathaniel L Rosi, Jaheon Kim, Mohamed Eddaoudi, Banglin Chen, Michael O'Keeffe, Omar M Yaghi. Journal of the American Chemical Society.
  5. "Oligonucleotide-modified gold nanoparticles for intracellular gene regulation." Nathaniel L Rosi, David A Giljohann, C Shad Thaxton, Abigail KR Lytton-Jean, Min Su Han, Chad A Mirkin. Science.
Recent Publications
  1. "Design of Stratified Metal Organic Frameworks for Chemical Warfare Agent Concentration and Destruction." Jonathan Ruffley, Isabella Goodenough, Tianyi Luo, Dorian Thompson, Melissandre Richard, Nathaniel L Rosi, Eric Borguet, J Karl Johnson. 2019 AIChE Annual Meeting.
  2. "Au130− xAgx Nanoclusters with Non‐Metallicity: A Drum of Silver‐Rich Sites Enclosed in a Marks‐Decahedral Cage of Gold‐Rich Sites." Tatsuya Higaki, Chong Liu, David J Morris, Guiying He, Tian‐Yi Luo, Matthew Y Sfeir, Peng Zhang, Nathaniel L Rosi, Rongchao Jin. Angewandte Chemie International Edition.
  3. "Nanoparticle Doped PEDOT for Enhanced Electrode Coatings and Drug Delivery." Kevin M Woeppel, Xin Sally Zheng, Zachary M Schulte, Nathaniel L Rosi, Xinyan Tracy Cui. Advanced healthcare materials.
  4. "Tuning the Structure and Chiroptical Properties of Gold Nanoparticle Single Helices via Peptide Sequence Variation." Soumitra Mokashi-Punekar, Tiffany R Walsh, Nathaniel L Rosi. Journal of the American Chemical Society.
  5. "Fundamental Insights into the Reactivity and Utilization of Open Metal Sites in Cu(I)-MFU-4l." Lin Li, Yahui Yang, Mona H Mohamed, Sen Zhang, Götz Veser, Nathaniel L Rosi, J Karl Johnson. Organometallics.
Department of Chemistry, Carnegie Mellon University
Ph.D. Chemistry, Northwestern University, Illinois, 2003

Our research focuses on fundamental science and engineering questions motivated by the creation of materials on the nanometer scale (1 nm=10-9 m). Our research themes include the synthesis, characterization, and applications of nanoparticles (typically 1-100 nm in size). We are developing chemical methods for synthesizing well defined nanoparticles, including atomically precise nanoclusters, shape- and size-controlled nanocrystals, hybrid nano-architectures, and inorganic/polymer nanocomposites. In-depth characterizations of the physical and chemical properties of nanoparticles and self-assembled nanomaterials are carried out with microscopy and spectroscopy techniques, such as electron microscopy, atomic force microscopy, X-ray crystallography, steady-state and ultrafast spectroscopies, etc. We also develop applications of nanoparticles in areas of catalysis, optics, chemo- and bio-sensing, and photovoltaics, etc.

Selected Publications: 
  1. “Correlating second harmonic optical responses of single Ag nanoparticles with morphology”, Jin, R.; Jureller, J.E.; Kim, H.Y.; Scherer, N.F. J. Am. Chem. Soc.127, 12482 (2005).
  2. “Synthesis of open-ended, cylindrical Au-Ag alloy nanostructures on a Si/SiOx surface”, Zhang, H.; Jin, R.; Mirkin, C.A. Nano Lett., 4, 1493 (2004).
  3. “Thermally-induced formation of atomic Au clusters and conversion into nanocubes”, Jin, R.; Egusa, S.; Scherer, N.F. J. Am. Chem. Soc.126, 9900 (2004).
  4. “Controlling anisotropic nanoparticle growth through plasmon excitation”, Jin, R.; Cao, Y.W.;  Hao, E.; Metraux, G.S.; Schatz, G.C.; Mirkin, C.A.; Nature425, 487 (2003).
  5. “Raman dye-labeled nanoparticle probes for proteins”, Cao, Y.C.; Jin, R.; Nam, J.M.; Thaxton, C.S.; Mirkin, C.A. J. Am. Chem. Soc.125, 14676 (2003).
Most Cited Publications
  1. "Photoinduced conversion of silver nanospheres to nanoprisms", R Jin, YW Cao, CA Mirkin, KL Kelly, GC Schatz, JG Zheng, science, 294, 1901 (2001).
  2. "Nanoparticles with Raman spectroscopic fingerprints for DNA and RNA detection", YWC Cao, R Jin, CA Mirkin, Science 297, 1536 (2002).
  3. "Controlling anisotropic nanoparticle growth through plasmon excitation", R Jin, YC Cao, E Hao, GS Métraux, GC Schatz, CA Mirkin, Nature 425, 487 (2003).
  4. "Correlating the crystal structure of a thiol-protected Au25 cluster and optical properties", M Zhu, CM Aikens, FJ Hollander, GC Schatz, R Jin, Journal of the American Chemical Society 130 , 5883 (2008).
  5. "What controls the melting properties of DNA-linked gold nanoparticle assemblies?", R Jin, G Wu, Z Li, CA Mirkin, GC Schatz, Journal of the American Chemical Society 125, 1643 (2003).
Recent Publications
  1. "Rational construction of a library of M29 nanoclusters from monometallic to tetrametallic." Kang, Xi, Xiao Wei, Shan Jin, Qianqin Yuan, Xinqi Luan, Yong Pei, Shuxin Wang, Manzhou Zhu, and Rongchao Jin. Proceedings of the National Academy of Sciences 116, no. 38 (2019): 18834-18840.
  2. "New Advances in Atomically Precise Silver Nanoclusters." Yang, Jie, and Rongchao Jin. ACS Materials Letters (2019).
  3. "Understanding the Solubility Behavior of Atomically Precise Gold Nanoclusters." Cowan, Michael J., Tatsuya Higaki, Rongchao Jin, and Giannis Mpourmpakis. The Journal of Physical Chemistry C 123, no. 32 (2019): 20006-20012.
  4. "Theoretical Prediction of Optical Absorption and Emission in Thiolated Gold Clusters." Day, Paul N., Ruth Pachter, Kiet A. Nguyen, and Rongchao Jin. The Journal of Physical Chemistry A 123, no. 30 (2019): 6472-6481.
  5. "Gold Nanoclusters: Bridging Gold Complexes and Plasmonic Nanoparticles in Photophysical Properties,"  M Zhou, C Zeng, Q Li, T Higaki, and R JinNanomaterials 9.7 (2019)

Highly Efficient Strategy for Constructing New Types of Peptide Macrocycles

  • By Burcu Ozden
  • 10 April 2018

Peng Liu and his colleagues report a highly efficient and generally applicable strategy for constructing new types of peptide macrocycles using palladium-catalyzed intramolecular C(sp3)–H arylation reactions on their newly published paper in Nature Chemistry. 

This strategy provides a powerful tool to address the long-standing challenge of size- and composition-dependence in peptide macrocyclization, and generates novel peptide macrocycles with uniquely buttressed backbones and distinct loop-type three-dimensional structures.

Department of Chemistry
PhD, Chemistry, Harvard University

Raúl Hernández Sánchez's research group is interested in combining supramolecular, inorganic, and materials chemistry to synthesize functional systems that bridge the gap between nanoscale materials and molecular chemistry. Their research is focused on developing new synthetic methodologies to access well-defined nanometer-sized clusters where they can investigate surface structure-function relationships relevant in catalytic and magnetic materials. Other efforts in the Hernández Sánchez (HS) group are aimed at designing and synthesizing structural analogues of carbon nanotubes where exquisite control of the resulting framework allows for properties manipulation.

Students in the HS group will engage in synthetic chemistry and develop familiarity with a range of spectroscopic, electrochemical, crystallographic and magnetic techniques. While rooted in synthetic chemistry, research in the HS group will interface with materials, organic, theory, and physical chemistry.

Most Cited Publications
  1. "High total proton conductivity in large-grained yttrium-doped barium zirconate," Y Yamazaki, R Hernandez-Sanchez, SM Haile, Chemistry of Materials 21, 2755 (2009
  2.  "Cation non-stoichiometry in yttrium-doped barium zirconate: phase behavior, microstructure, and proton conductivity," Y Yamazaki, R Hernandez-Sanchez, SM Haile, Journal of Materials Chemistry 20, 8158 (2010)
  3. "Disulfide Reductive Elimination From an Iron (III) Complex." Janice L. Wong, R Hernandez-Sanchez, Jennifer Glancy Logan, et. al.  Chemical Science 4.4 (2013)
  4. "Probing the role of an Fe IV Tetrazene in Catalytic Aziridination."  S Alan Cramer, R Hernandez-Sanchez, Desiraw F Brakhage, David M Jenkins.  Chemical Communications 50.90 (2014)
  5. "A Remarkably Active Iron Catecholate Catalyst Immobilized in a Porous Organic Polymer." Steven J. Kraft, R Hernandez-Sanchez, and Adam S Hock.  ACS Catalysis 3.5 (2013)
Recent Publications
  1. "Exposing the inadequacy of redox formalisms by resolving redox inequivalence within isovalent clusters," Bartholomew, A. K., Teesdale, J. J., Sánchez, R. H., Malbrecht, B. J., Juda, C. E., Ménard, G., ... & Sarangi, R. (2019).  Proceedings of the National Academy of Sciences116(32), 15836-15841.
  2. "Controlling Singlet Fission by Molecular Contortion," Conrad-Burton, Felisa S., Taifeng Liu, Florian Geyer, Roberto Costantini, Andrew P. Schlaus, Michael S. Spencer, Jue Wang et al. Journal of the American Chemical Society 141, no. 33 (2019): 13143-13147.
  3. "Defying strain in the synthesis of an electroactive bilayer helicene." Milton, Margarita, Nathaniel J. Schuster, Daniel W. Paley, Raúl Hernández Sánchez, Fay Ng, Michael L. Steigerwald, and Colin Nuckolls. Chemical Science (2018).
  4. "Thermally persistent high spin ground states in octahedral iron clusters." Hernández Sánchez, Raúl, and Theodore A. Betley. Journal of the American Chemical Society (2018).
  5. "Electron Cartography in Clusters." Raúl Hernández Sánchez, Anouck M Champsaur, Bonnie Choi, Suyin Grass Wang, et. al.  Angewande Chemie International 57.42 (2018)