Publications

 

Note: For interested readers, the Supplementary Materials to our publications are as important as the main papers.
Equal contribution. *Correspondence author.
(84) M. Zhao, W. Li, M. Yang, Z. Zhao, R. Ye, X. Mao, P. Padgett, P. Chen*
Long-range enhancement of micropollutant adsorption on metal-promoted photocatalysts
Nature Catal. 2024, https://doi.org/10.1038/s41929-024-01199-0. [pdf]
News highlights:

(83) J. Lee, K. Jha, C. Harper, W. Zhang, M. Ramsukh, N. Bouklas, T. Doerr, P. Chen, C. Hernandez*
Determining the Young’s modulus of the bacterial cell envelope
ACS Biomater. Sci. Eng. 2024, 10, 2956-2966.
(82) M. S. Alshammasi, P. Chen, F. A. Escobedo*
Revealing the origin of cooperative adsorption of chains on nanoparticle surfaces through coarse-grained simulations
Langmuir 2024, 40, 8015-8023.
(81) U. Chakraborty, Y. Park, K. Sengupta, W. Jung, C. Joshi, D. Duckworth, P. Chen*
A ‘through-DNA’ mechanism for metal uptake-vs.-efflux regulation
bioRxiv, https://doi.org/10.1101/2023.12.05.570191.
(80) L. Xu, R. Ye, M. Mavrikakis,* P. Chen*
Molecular-scale insights into cooperativity switching of xTAB adsorption on gold nanoparticles
ACS Cent. Sci. 2024, 10, 65-76.

(79) R. Ye, X. Sun, X. Mao, F. Alfonso, S. Baral, C. Liu, G. Coates, P. Chen*
Optical sequencing of single synthetic polymers
Nature Chem. 2024, 16, 210-217.
News highlights:

(78) B. Fu, X. Mao, Y. Park, Z. Zhao, T. Yan, W. Jung, D. H. Francis, W. Li, B. Pian, F. Salimijazi, M. Suri, T. Hanrath, B. Barstow, P. Chen*
Single-cell multimodal imaging uncovers energy conversion pathways in biohybrids
Nature Chem. 2023, 15, 1400-1407.
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(77) C. Harper, W. Zhang, J. Lee, J.-H. Shin, M. Keller, E. van Wijngaarden, E. Chou, Z. Wang, T. Dörr,* P. Chen,* C. J. Hernandez*
Mechanical stimuli activate gene expression via a cell envelope stress sensing pathway
Sci. Rep. 2023, 13, 13979.
Preprint version: bioRxiv, https://doi.org/10.1101/2022.09.25.509347.

(76) S. Baral, C. Liu,†,* X. Mao, G. W. Coates, P. Chen*
Tuning single polymer growth via hydrogen bonding in conformational entanglements
ACS Cent. Sci. 2022, 8, 1116-1124.

(75) M. Suri, Z. Mohamed, S. Naser, X. Mao, P. Chen, S. Daniel,* T. Hanrath*
Bioelectronic platform to investigate charge transfer between photoexcited quantum dots and microbial outer membranes
ACS Appl. Mater. Interfaces 2022, 14, 15799-15810.
(74) X. Mao, P. Chen*
Inter-facet junction effects on particulate photoelectrodes
Nature Mater. 2022, 21, 331-337.
News highlights:

(73) R. Ye, M. Zhao, X. Mao, Z. Wang, D. A. Garzon, H. Pu, Z. Zhao, P. Chen*
Nanoscale cooperative adsorption for materials control
Nature Commun. 2021, 12, 4287.
News highlights:

(72) S. Baral, C. Liu, U. K. Chakraborty, K. Kubo, X. Mao, G. W. Coates, P. Chen*
Single-chain polymerization dynamics and conformational mechanics of conjugated polymers
Chem 2021, 7, 2175-2189.
News highlights:

(71) X. Mao, R. Ye, P. Chen*
Fluorescence microscopy
In Springer Handbook of Advanced Catalyst Characterization, edited by Israel Wachs and Miguel A. Banares; pp285-294 (2023).
Invited contribution.
(70) S. Sarkar, X. Wang, M. Hesari, P. Chen, M. V. Mirkin*
Scanning electrochemical and photo-electrochemical microscopy on finder grids: toward correlative multi-technique imaging of surfaces
Anal. Chem. 2021, 93, 5377-5382.
(69) J. Kang, S. J. Park, P. Chen,* J. Sung*
Stochastic kinetics of nanocatalytic systems
Phys. Rev. Lett. 2021, 126, 126001.
(68) C. Liu,†,* S. Baral, K. Gu, X. Mao, P. Chen*
Real-time single polymer growth toward single monomer resolution
Trends Chem. 2021, 3, 318-331.
Invited review.

(67) B. Fu, K. Sengupta, L. A. Genova, A. G. Santiago, W. Jung, L. Krzeminski, U. K. Chakraborty, W. Zhang, P. Chen*
Metal-induced sensor mobilization turns on affinity to activate regulator for metal detoxification in live bacteria
Proc. Natl. Acad. Sci. U.S.A. 2020, 117, 13248-13255.
News highlights:

(66) M. Zhao, P. Chen*
Exploring plasmonic photocatalysis via single-molecule reaction imaging
Nano Lett. 2020, 20, 2939-2940.
Invited Perspective.
(65) W. Jung, K. Sengupta, B. Wendel, J. D. Helmann, P. Chen*
Biphasic unbinding of a metalloregulator from DNA for transcription (de)repression in live bacteria
Nucleic Acids Res. 2020, 48, 2199-2208.
Preprint version: bioRxiv, 434738; https://doi.org/10.1101/434738; Oct 4, 2018.
News highlights:

  • Selected as NAR Breakthrough Article, which, according to NAR, are “those that appear to solve a long-standing problem in their field, or provide exceptional new insight and understanding into an area of research that will clearly motivate and guide new research opportunities and directions. They highlight the top 1 to 2% of papers that NAR receives for publication.”
  • Recommended as “exceptional” by F1000Prime. https://doi.org/10.3410/f.737317970.793572020.
(64) L. A. Genova, M. F. Roberts, Y.-C. Wong, C. E. Harper, A. G. Santiago, B. Fu, A. Srivastava, W. Jung, L. M. Wang, L. Krzeminski, X. Mao, X. Sun, C.-Y. Hui, P. Chen,* C. J. Hernandez*
Mechanical stress compromises multicomponent efflux complexes in bacteria
Proc. Natl. Acad. Sci. U.S.A. 2019, 116, 25462-25467.
Preprint version: bioRxiv 571398; https://doi.org/10.1101/571398; Mar 8, 2019.
News highlights:

(63) X. Mao, C. Liu, M. Hesari, N. Zou, P. Chen*
Super-resolution imaging of nonfluorescent reactions via competition
Nature Chem. 2019, 11, 687-694.
News highlights:

(62) J. B. Sambur,* D. P. Shepherd, M. Hesari, M. Van Erdewyk, E. Choudhary, P. Chen*
Correlated single-molecule reaction imaging and photocurrent measurements reveal underlying rate processes in photoelectrochemical water splitting
J. Electrochem. Soc. 2019, 166, H3286-H3293.

(61) R. Ye, X. Mao, X. Sun, P. Chen*
Analogy between enzyme and nanoparticle catalysis: a single-molecule perspective
ACS Catal. 2019, 9, 1985-1992.

(60) M. Hesari, J. Sambur, X. Mao, W. Jung, P. Chen*
Quantifying photocurrent loss of a single particle-particle interface in nanostructured photoelectrodes
Nano Lett. 2019, 19, 958-962.
News highlights:

(59) N. Zou, G. Chen, X. Mao, H. Shen, E. Choudhary, X. Zhou, P. Chen*
Imaging catalytic hotspots on single plasmonic nanostructures via correlated super-resolution and electron microscopy
ACS Nano 2018, 12, 5570-5579.

(58) M. Hesari, X. Mao, P. Chen*
Charge carrier activity on single-particle photo(electro)catalysts: Toward function in solar energy conversion
J. Am. Chem. Soc. 2018, 140, 6729-6740.
Invited Perspective.
News highlights:

(57) N. Zou, X. Zhou, G. Chen, N. M. Andoy, W. Jung, G. Liu, P. Chen*
Cooperative communication within and between single nanocatalysts
Nature Chem. 2018, 10, 607-614.
News highlights:

(56) T.-Y. Chen,* Y.-S. Cheng, P.-S. Huang, P. Chen*
Facilitated unbinding via multivalency-enabled ternary complexes: New paradigm for protein-DNA interactions
Acc. Chem. Res. 2018, 51, 860-868.
Invited contribution.

(55) G. Chen, N. Zou, B. Chen, J. B. Sambur, E. Choudhary, P. Chen*
Bimetallic effect of single nanocatalysts visualized by super-resolution catalysis imaging
ACS Cent. Sci. 2017, 3, 1189-1197.
News highlights:

(54) C. Liu, K. Kubo, E. Wang, K.-S. Han, F. Yang, G. Chen, F. A. Escobedo,* G. W. Coates,* P. Chen*
Single polymer growth dynamics
Science 2017, 358, 352-355.
News highlights:

   
(53) A. G. Santiago, T.-Y. Chen, L. Genova, W. Jung, A. Thompson, M. McEvoy, P. Chen*
Adaptor protein mediates dynamic pump assembly for bacterial metal efflux
Proc. Natl. Acad. Sci. U.S.A. 2017, 114, 6694-6699.
News highlights:

(52) F. Yang, T.-Y. Chen, L. Krzeminski, A. G. Santiago, W. Jung, P. Chen*
Single-molecule dynamics of the molecular chaperone trigger factor in living cells
Mol. Microbiol. 2016, 102, 992-1003.

(51) J. B. Sambur, P. Chen*
Distinguishing direct and indirect photoelectrocatalytic oxidation mechanisms using quantitative single-molecule reaction imaging and photocurrent measurements
J. Phys. Chem. C 2016, 120, 20668-20676.
Invited contribution to the Richard P. Van Duyne Festschrift.

(50) J. B. Sambur, T.-Y. Chen, E. Choudhary, G. Chen, E. J. Nissen, E. M. Thomas, N. Zou, P. Chen*
Sub-particle reaction and photocurrent mapping to optimize catalyst-modified photoanodes
Nature 2016, 530, 77-80.
News highlights:

   
(49) T.-Y. Chen, W. Jung, A. G. Santiago, F. Yang, Ł. Krzemiński, P. Chen*
Quantifying multi-state cytoplasmic molecular diffusion in bacterial cells via inverse transform of confined displacement distribution
J. Phys. Chem. B 2015, 119, 14451-14459.

(48) D. J. Martell, C. P. Joshi, A. Gaballa, A. G. Santiago, T.-Y. Chen, W. Jung, J. D. Helmann, P. Chen*
Metalloregulator CueR biases RNA polymerase’s kinetic sampling of dead-end or open complex to repress or activate transcription
Proc. Natl. Acad. Sci. U.S.A. 2015, 112, 13467-13472.
News highlights:

(47) T.-Y. Chen,A. G. Santiago, W. Jung, L. Krzeminski, F. Yang, D. J. Martell, J. D. Helmann, P. Chen*
Concentration and chromosome-organization dependent regulator unbinding from DNA for transcription regulation in living cells
Nature Commun. 2015, 6, 7445. DOI: 10.1038/ncomms8445.

  • MATLAB code package: iQPALM (image-based quantitative photo-activated localization microscopy). figshare. Software. https://doi.org/10.6084/m9.figshare.12642617.v1

News highlights:

(46) H. Shen, X. Zhou, N. Zou, P Chen*
Single-Molecule Kinetics Reveals A Hidden Surface Reaction Intermediate in Single-Nanoparticle Catalysis
J. Phys. Chem. C 2014, 118, 26902-26911.

(45) J. B. Sambur, P. Chen*
Approaches to Single-Nanoparticle Catalysis
Annu. Rev. Phys. Chem. 2014, 65, 395-422.
Invited contribution.

(44) P. Chen*, X. Zhou, N. M. Andoy, K.-S. Han, E. Choudhary, N. Zou, G. Chen, H. Shen
Spatiotemporal Catalytic Dynamics within Single Nanocatalysts Revealed by Single-Molecule Microscopy
Chem. Soc. Rev. 2014, 43, 1107-1117.
Invited contribution to the themed issue “Single-molecule optical spectroscopy”.

(43) P. Chen*, A. M. Keller, C. P. Joshi, D. J. Martell, N. M. Andoy, J. J. Benítez, T.-Y. Chen, A. G. Santiago, F. Yang
“Single-Molecule Dynamics and Mechanisms of Metalloregulators and Metallochaperones
Biochemistry 2013, 52, 7170-7183.
Invited Current Topic article.

(42) M. A. Ochoa, P. Chen, R. F. Loring*
Single turnover measurements of nanoparticle catalysis analyzed with dwell time correlation functions and constrained mean dwell times
J. Phys. Chem. C 2013,117, 19074-19081.
(41) X. Zhou, E. Choudhary, N. M. Andoy, N. Zou, P. Chen*
Scalable Parallel Screening of Catalyst Activity at the Single-Particle Level and Sub-diffraction Resolution
ACS Catal. 2013, 3, 1448-1453.
News highlights:

(40) N. M. Andoy, X. Zhou, E. Choudary, H. Shen, P. Chen*
Single-Molecule Catalysis Mapping Quantifies Site-specific Activity and Uncovers Radial Activity Gradient on Single 2D Nanocrystals
J. Am. Chem. Soc. 2013, 135, 1845-1852.

(39) C. P. Joshi,D. Panda,D. J. Martell,N. M. Andoy, T.-Y. Chen, A. Gaballa, J. D. Helmann, P. Chen*
Direct Substitution and Assisted Dissociation Pathways for Turning Off Transcription by A MerR-family Metalloregulator
Proc. Natl. Acad. Sci. U.S.A. 2012, 109, 15121-15126.
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(38) A. M. Keller, J. J. Benitez, D. Klarin, L. Zhong, M. Goldfogel, F. Yang, T.-Y. Chen, P. Chen*
Dynamic Multi-Body Protein Interactions Suggest Versatile Pathways for Copper Trafficking
J. Am. Chem. Soc. 2012, 134, 8934-8943.

TOC graph
(37) Y.-F. Chen, X. Serey, R. Sarkar, P. Chen, D. Erickson*
Controlled photonic manipulation of proteins and other nanomaterials
Nano Lett. 2012, 12, 1633-1637.
(36) K.-S. Han,G. Liu,X. Zhou, R. E. Medina, P. Chen*
How does A Single Pt Nanocatalyst Behave in Two Different Reactions? A Single-Molecule Study
Nano Lett. 2012, 12, 1253-1259.
(35) X. Zhou, N. M. Andoy, G. Liu, E. Choudhary, K.-S. Han, H. Shen, P. Chen*
Quantitative Super-resolution Imaging Uncovers Reactivity Patterns on Single Nanocatalysts
Nature Nanotech. 2012, 7, 237–241.
News highlights:

(34) P. Chen*
Solid Acid Catalysts: Stain and Shine
Nature Chem. 2011, 3, 839-840.
Invited News and Views article.
(33) M. A. Ochoa-Daza, X. Zhou, P. Chen, R. F. Loring*
Interpreting Single Turnover Catalysis Measurements with Constrained Mean Dwell Times
J. Chem. Phys. 2011, 135, 174509.
(32) J. J. Benitez, A. M. Keller, D. L. Huffman, L. Yatsunyk, A. C. Rosenzweig, P. Chen*
Relating Dynamic Protein Interactions of Metallochaperones with Metal Transfer at the Single-Molecule Level
Faraday Discuss. 2011, 148, 71-82.
Invited contribution to the special volume: Spectroscopy, Theory and Mechanism in Bioinorganic Chemistry.
(31) P. Chen*, X. Zhou, H. Shen, N. M. Andoy, E. Choudhary, K.-S. Han, G. Liu, W. Meng
Single-Molecule Fluorescence Imaging of Nanocatalytic Processes
Chem. Soc. Rev. 2010, 39, 4560-4570.
Invited Tutorial Review to the themed issue: In-situ characterization of heterogeneous catalysts.
(30) H. Shen, W. Xu, P. Chen*
Single-Molecule Nanoscale Electrocatalysis
Phys. Chem. Chem. Phys. 2010, 12, 6555-6563.
Invited Perspective article.
(29) P. Chen*, N. M. Andoy, J. J. Benitez, A. M. Keller, D. Panda, F. Gao
Tackling Metal Regulation and Transport at the Single-Molecule Level
Nat. Prod. Rep. 2010, 27, 757-767.
Invited review to the thematic issue of Metals in Cells.
(28) J. J. Benitez, A. M. Keller, P. Chen*
Nanovesicle Trapping for Studying Weak Protein Interactions by Single-Molecule FRET
Meth. Enzymol. 2010, 472, 41-60.
Invited article to the special volume of Single Molecule Tools: Fluorescence Based Approaches.
(27) X. Zhou, W. Xu, G. Liu, D. Panda, P. Chen*
Size Dependent Catalytic Activity and Dynamics of Gold Nanoparticles at the Single-Molecule Level
J. Am. Chem. Soc. 2010, 132, 138-146.
(26) W. Xu, H. Shen, G. Liu, P. Chen*
Single-Molecule Kinetics of Nanoparticle Catalysis
Nano Res. 2009, 2, 911-922.
Invited review article.
(25) N. M. Andoy, S. K. Sarkar, Q. Wang, D. Panda, J. J. Benitez, A. Kalininskiy, P. Chen*
Single-Molecule Study of Metalloregulator CueR-DNA Interactions Using Engineered Holliday Junctions
Biophys. J. 2009, 97, 844-852.
(24) W. Xu, H. Shen, Y. J. Kim, X. Zhou, G. Liu, J. Park, P. Chen*
Single-Molecule Electrocatalysis by Single-Walled Carbon Nanotubes
Nano Lett. 2009, 9, 3968–3973.
News highlights:

(23) P. Chen*, W. Xu, X. Zhou, D. Panda, A. Kalininskiy
Single-Nanoparticle Catalysis at Single-Turnover Resolution
Chem. Phys. Lett. 2009, 470, 151-157.
Invited FRONTIERS article.
(22) W. Xu, J. S. Kong, P. Chen*
Probing the Catalytic Activity and Heterogeneity of Au-Nanoparticles at the Single-Molecule Level
Phys. Chem. Chem. Phys. 2009, 11, 2767-2778.
News highlights:

(21) W. Xu, J. S. Kong, P. Chen*
Single-Molecule Kinetic Theory of Heterogeneous and Enzyme Catalysis
J. Phys. Chem. C 2009, 113, 2393-2404.
(20) P. Chen*, N. M. Andoy
“Single-Molecule Fluorescence Methods in Enzymology”
In Comprehensive Natural Products Chemistry II Chemistry and Biology; Mander, L., Lui, H.-W., Eds.; Elsevier: Oxford, 2010; Vol. 9; pp 751.
Invited review.
(19) W. Xu, J. S. Kong, Y.-T. E. Yeh, P. Chen*
Single-Molecule Nanocatalysis Reveals Heterogeneous Reaction Pathways and Catalytic Dynamics
Nature Mater. 2008, 7, 992-996.
News highlights:

(18) J. J. Benítez, A. M. Keller, P. Ochieng, L. A. Yatsunyk, D. L. Huffman*, A. C. Rosenzweig, P. Chen*
Probing Transient Copper Chaperone-Wilson Disease Protein Interactions at the Single-Molecule Level with Nanovesicle Trapping
J. Am. Chem. Soc. 2008, 130, 2446-2447.
(17) P. Chen*, N. M. Andoy
Single-Molecule Fluorescence Studies from A Bioinorganic Perspective
Inorg. Chim. Acta 2008, 361, 809-819.
Invited contribution to the special issue in honor of Edward I. Solomon.
(16) S. K. Sarkar, N. M. Andoy, J. J. Benítez, P. R. Chen, J. S. Kong, C. He, P. Chen*
Engineered Holliday Junctions as Single-Molecule Reporters for Protein-DNA Interactions with Application to a MerR-Family Regulator
J. Am. Chem. Soc. 2007, 129, 12461-12467.
Postdoctoral and Graduate Publications
(15) Nan, X.; Sims, P. A.; Chen, P.; Xie, X. S. “Observation of Individual Microtubule Motor Steps in Living Cells with Endocytosed Quantum Dots” J. Phys. Chem. B 2005, 109, 24220-24224.
Press highlight: “Motor steps imaged in living cells”, Chemical & Engineering News, January 2, 2006, Volume 84, p22.
(14) Solomon, E. I.; Basumallick, L.; Chen, P.; Kennepohl, P. “Variable Energy Photoelectron Spectroscopy: Electronic Structure and Electronic Relaxation”  Coord. Chem. Rev. (Invited Issue of Synchrotron Radiation in Inorganic and Bioinorganic Chemistry), 2005, 249, 229-253.
(13) Chen, P.; Solomon, E. I., “O2 Activation by Binuclear Cu Sites: Non-Coupled versus Exchange Coupled Reaction Mechanisms” Proc. Natl. Acad. Sci. USA 2004, 101, 13105-13110.
(12) Chen, P.; Gorelsky, S. I.; Ghosh, S.; Solomon, E. I. “N2O Reduction by the m4-Sulfide Bridged Tetranuclear CuZ Cluster Active Site” Angew. Chem. Int. Ed. 2004, 43, 4132-4140.
(11) Chen, P.; Solomon, E. I., “Oxygen Activation by the Non-Coupled Binuclear Copper Site in Peptidylglycine a-Hydroxylating Monooxygenase. Reaction Mechanism and Role of the Non-Coupled Nature of the Active Site” J. Am. Chem. Soc. 2004, 126, 4991-5000.
(10) Chen, P.; Bell, P.; Eipper, B. A.; Solomon, E. I. “Oxygen Activation by the Non-Coupled Binuclear Copper Site in Peptidylglycine a-Hydroxylating Monooxygenase. Spectroscopic Definition of the Resting Sites and the Putative CuIIM-OOH Intermediate” Biochemistry 2004, 43, 5735-5747.
(09) Ghosh, S.; Gorelsky, S. I.; Chen, P.; Cabrito, I.; Moura, J. J. G.; Moura, I.; Solomon, E. I. “Activation of N2O Reduction by the Fully Reduced m4-Sulfide Bridged Tetranuclear CuZ Cluster in Nitrous Oxide Reductase” J. Am. Chem. Soc. 2003, 125, 15708-15709.
(08) Chen, P.; Fujisawa, K.; Helton, M. E.; Karlin, K. D.; Solomon, E. I. “Spectroscopy and Bonding in Side-On and End-On Cu2(S2) Cores: Comparison to Peroxide Analogues” J. Am. Chem. Soc. 2003, 125, 6394-6408.
(07) Helton, M. E.; Chen, P.; Paul, P. P.; Tyeklár, Z.; Sommer, R.; Zhakarov, L.; Rheingold, A. L.; Solomon, E. I.; Karlin, K. D. “Reaction of Elemental Sulfur with a Copper(I) Complex Forming a trans-m-1,2 End-On Disulfide Complex: New Directions in Copper-Sulfide Chemistry” J. Am. Chem. Soc. 2003, 125, 1160-1161.
(06) Chen, P.; Root, D. E.; Campochiaro, C.; Fujisawa, K.; Solomon, E. I. “Spectroscopic and Electronic Structure Studies of the Diamagnetic Side-On CuII-Superoxo Complex Cu(O2)[HB(3-R-5-iPrpz)3]: Antiferromagnetic Coupling versus Covalent Delocalization” J. Am. Chem. Soc. 2003, 125, 466-474.
(05) Chen, P.; Cabrito, I.; Moura, J. J. G.; Moura, I.; Solomon, E. I. “Spectroscopic and Electronic Structure Studies of the m4-Sulfide Bridged Tetranuclear CuZ Cluster in N2O Reductase: Molecular Insight into the Catalytic Mechanism” J. Am. Chem. Soc. 2002, 124, 10497-10507.
(04) Chen, P.; George, S. D.; Cabrito, I.; Antholine, W. E.; Moura, J. J. G.; Moura, I.; Hedman, B.; Hodgson, K. E.; Solomon, E. I. “Electronic Structure Description of the m4-Sulfide Bridged Tetranuclear CuZ Center in N2O Reductase” J. Am. Chem. Soc. 2002, 124, 744-745.
(03) Chen, P.; Solomon, E. I. “Frontier Molecular Orbital Analysis of Cun-O2 Reactivity” J. Inorg. Biochem. (Invited 30th Anniversary Issue) 2002, 88, 368-374.
(02) Solomon, E. I.; Chen, P.; Metz, M.; Lee, S. K., Palmer, A. E. “Oxygen Binding, Activation and Reduction to Water by Copper Proteins” Angew. Chem. Int. Ed. 2001, 40, 4570-4590; Angew. Chem. 2001, 113, 4702-4724.
(01) Chen, P.; Fujisawa, K.; Solomon, E. I. “Spectroscopic and Theoretical Studies of Mononuclear Copper(II) Alkyl- and Hydroperoxo Complexes: Electronic Structure Contributions to Reactivity” J. Am. Chem. Soc. 2000, 122, 10177-10193.