Optimizing Stabilizer Parities for Improved Logical Qubit Memories, D.M. Debroy, L. Egan, C. Noel, A. Risinger, D. Zhu, D. Biswas, M. Cetina, C. Monroe, and K.R. Brown,  arXiv:2105.05068

Batch Optimization of Frequency-Modulated Pulse for Robust Two-qubit Gates in Ion Chains, M. Kang, Q. Liang, B. Zhang, S. Huang, Y. Wang, C. Fang, J. Kim and K.R. Brown, arXiv:2104.06887

Demonstration of Shor encoding on a trapped-ion quantum computer, N.H. Nguyen, M. Li, A.M. Green, C.H. Alderete, Y. Zhu, D. Zhu, K.R. Brown, N.M. Linke, arXiv:2104.01205

Hidden Inverses: Coherent Error Cancellation at the Circuit Level, B. Zhang, S. Majumder, P.H. Leung, S. Crain, Y. Wang, C. Fang, D.M. Debroy, J. Kim and K.R. Brown, arXiv:2104.01119


Journal Articles

Materials challenges for trapped-ion quantum computers, K.R. Brown, J. Chiaverini, J. Sage, and H. Häffner, Nature Reviews Materials (2021) arXiv:2009.00568



Between Shor and Steane: A unifying construction for measuring error syndromes, S. Huang and K.R. Brown, arXiv:2012.15403

Achieving a quantum smart workforce, C. D. Aiello, D.D. Awschalom, H. Bernien, T. Brower-Thomas, K.R. Brown, T.A. Brun, J.R. Caram, E. Chitambar, Rosa Di Felice, M.F.J. Fox, S. Haas, A.W. Holleitner, E.R. Hudson, J. H. Hunt, R.Joynt, S. Koziol, H.J. Lewandowski, D.T. McClure, J. Palsberg, G. Passante, K.L. Pudenz, C.J.K. Richardson, J.L. Rosenberg, R. S. Ross, M. Saffman, M. Singh, D.W. Steuerman, Chad Stark, J. Thijssen, A.N. Vamivakas, J.D. Whitfield, and  B.M. Zwickl, arXiv:2010.13778

Fault-tolerant operation of a quantum error correction code, L. Egan, D.M. Debroy, C. Noel, A. Risinger, D. Zhu, D. Biswas, M. Newman, M. Li, K.R. Brown, M. Cetina, and C. Monroe arXiv:2009.11482


Journal Articles

Materials challenges for trapped-ion quantum computers, K.R. Brown, J. Chiaverini, J. Sage, and H. Häffner, Nature Reviews Materials (2021) arXiv:2009.00568

Extended flag gadgets for low-overhead circuit verification, D.M. Debroy and K.R. Brown, Phys. Rev. A 102, 052409 (2020) arXiv:2009.07752

Dipole-phonon quantum logic with alkaline-earth monoxide and monosulfide cations, M. Mills, H. Wu, E.C. Reed, L. Qi, K.R. Brown, C. Schneider, M.C. Heaven, W.C. Campbell, and E.R. Hudson, Phys. Chem. Chem. Phys. 22, 24964 (2020) arXiv:2008.09201

High-fidelity two-qubit gates using a MEMS-based beam steering system for individual qubit addressing, Y. Wang, S. Crain, C. Fang, B. Zhang, S. Huang, Q. Liang, P.H. Leung, K.R. Brown, and J. Kim, Phys. Rev. Lett. 125, 150505 (2020) arXiv:2003.12430

Fault-tolerant weighted Union-Find decoding on the toric code, S. Huang, M. Newman, and K.R. Brown, Phys. Rev. A 102, 012419 (2020) arXiv:2004.04693

Resource-efficient quantum computing by breaking abstractions, Y. Shi, P. Gokhale, P. Murali, J. M. Baker, C. Duckering, Y. Ding, N. C. Brown, C. Chamberland, A. Javadi-Abhari, A.W. Cross, D.I. Schuster, K.R. Brown, M. Martonosi and F.T. Chong, Proc. IEEE  108, 1353  (2020)

Generating fault-tolerant cluster states from crystal structures, M. Newman, L.A. de Castro, and K.R. Brown, Quantum 4, 295 (2020)  arXiv:1909.11817

Extending the frontier of quantum computing with qutrits, P. Gokhale, J. M. Baker, C. Duckering, N.C. Brown, K.R. Brown and F.T. Chong, IEEE Micro 40, 64 (2020)

Photon-mediated charge-exchange reactions between 39K atoms and 40Ca+ ions in a hybrid trap,
H. Li, S. Jyothi, M. Li, J. Klos, A. Petrov, K.R. Brown, and S.Kotochigova, Phys. Chem. Chem. Phys. 22, 10970 (2020) arXiv:2003.03430

Logical performance of 9 qubit compass codes in ion traps with crosstalk errors, D.M. Debroy, M. Li, S. Huang, and K.R. Brown, Quantum Sci. Technol. 5, 034002 (2020) 

Fault-tolerant compass codes, S. Huang and K.R. Brown, Phys. Rev. A 101, 042312 (2020) 

Ground-state energy estimation of the water molecule on a trapped ion quantum computer, Y. Nam, J.S. Chen, N.C. Pisenti, K. Wright, C. Delaney, D. Maslov, K.R. Brown,  S. Allen, J.M. Amini, J. Apisdorf, K.M. Beck, A. Blinov, V. Chaplin, M. Chmielewski, C. Collins, S. Debnath, A.M. Ducore, K.M. Hudek, M. Keesan, S.M. Kreikemeier, J. Mizrahi, P. Solomon, M. Williams, J.D. Wong-Campos, C. Monroe, and J. Kim, npj Quantum Inf. 6, 33 (2020)

Real-time calibration with spectator qubits, S. Majumder, L.A. de Castro, and K.R. Brown,  npj Quantum Inf. 6, 19 (2020)

Refereed Conference Proceedings

Critical faults of leakage errors on the surface code, N.C. Brown, A.W. Cross, and K.R. Brown, to appear in Proceedings of the IEEE International Conference on Quantum Computing and Engineering (QCE20). arXiv:2003.05843

Architecting noisy intermediate-scale trapped ion quantum computers, P. Murali, D.M. Debroy, K.R. Brown, and M.R. Martonosi, in Proceedings of the 47th International Symposium on Computer Architecture (ISCA'20), pp. 529-542 (2020) (arXiv:2004.04706)



Quantum computer systems for scientific discovery, Y.Alexeev, D. Bacon, K.R. Brown, R. Calderbank, L.D. Carr, F.T. Chong, B. DeMarco, Dirk Englund, E. Farhi, B. Fefferman, A.V. Gorshkov, A. Houck, J. Kim, S. Kimmel, M. Lange, S. Lloyd, M.D. Lukin, D. Maslov, P. Maunz, C. Monroe, J. Preskill, M. Roetteler, M. Savage, J. Thompson, and U. Vazirani, arXiv:1912.07577

Quantum simulators: Architectures and opportunities, E. Altman, K.R. Brown, G. Carleo, L.D. Carr, E. Demler, C. Chin, B. DeMarco, S.E. Economou, M. Eriksson, K-M. C. Fu, M. Greiner, K.R.A. Hazzard, R.G. Hulet, A.J. Kollar, B.L. Lev, M.D. Lukin, R. Ma, X. Mi, S. Misra, C. Monroe, K. Murch, Z. Nazario, K-K. Ni, A.C. Potter, P. Roushan, M. Saffman, M. Schleier-Smith, I. Siddiqi, R. Simmonds, M. Singh, I. B. Spielman, K. Temme, D.S. Weiss, J. Vuckovic, V. Vuletic, J. Ye, and M. Zwierlein, arXiv:1912.06938

On Optimality of CSS Codes for Transversal T, Narayanan Rengaswamy, Robert Calderbank, Michael Newman, Henry D. Pfister, arXiv:1910.09333

Alibaba Cloud Quantum Development Platform: Large-Scale Classical Simulation of Quantum Circuits, F. Zhang, C. Huang, M. Newman, J. Cai, H. Yu, Z. Tian, B. Yuan, H. Xu, J. Wu, X. Gao, J. Chen, M. Szegedy, and Y. Shi, arXiv:1907.11217

Explicit lower bounds on strong simulation of quantum circuits in terms of T-gate count, C. Huang, M. Newman, and M. Szegedy, arXiv:1902.04764

Journal Articles

A hybrid ion-atom trap with integrated high resolution mass spectrometer, S. Jyothi, K.N. Egodapitiya, B. Bondurant, Z. Jia, E. Pretzsch, P. Chiappina, G. Shu, and K.R. Brown, Rev. Sci. Inst. 10, 103201 (2019)

Leakage mitigation for quantum error correction using a mixed qubit scheme, N.C. Brown and K.R. Brown, Phys. Rev. A 100, 032325 (2019)

Handling leakage with subsystem codes, N.C. Brown, M. Newman, and K.R. Brown, New J. Phys. 21, 073055(2019)

Two-qubit entangling gates within arbitrarily long chains of trapped ions, K.A. Landsman, Y Wu, P.H. Leung, D Zhu, N.M. Linke, K.R. Brown, LM. Duan, and C Monroe,  Phys. Rev. A,  120, 020501(2019)

2D Compass Codes, M Li, D Miller, M Newman, Y Wu, KR Brown, Phys. Rev. X 9, 021041 (2019)

Controlling error orientation to improve quantum algorithm success rates, D.C. Murphy and K.R. Brown, Phys. Rev. A 99, 032318 (2019)

Refereed Conference Proceedings

Asymptotic improvements to quantum circuits via qutrits, P. Gokhale, J. M. Baker, C. Duckering, N.C. Brown, K.R. Brown and F.T. Chong, in Proceedings of the 46th International Symposium on Computer Architecture (ISCA'19), pp. 554-566 (2019)

Editorials, Perspectives, Non-Refereed Conference Proceedings

Quantum technologies and the National Quantum Initiative, K.R. Brown, Quantum Eng. 1, e7 (2019)

The case for quantum computing, F. Chong, K. Brown, and Y. Ding, Computer Architecture Today, blog of ACM SIGARCH, Jan. 15, 2019



Journal Articles

Stabilizer slicing: Coherent error cancellations in low-density parity-check stabilizer codes, D.M. Debroy, M. Li, M. Newman, and K.R. Brown, Phys. Rev. Lett. 121, 250502 (2018)

Direct measurement of Bacon-Shor code stabilizers, M. Li, D. Miller, and K.R. Brown, Phys. Rev. A 98, 050301(R) (2018)

Entangling an arbitrary pair of qubits in a long ion chain, P.H. Leung and K.R. Brown, Phys. Rev. A 98, 032318 (2018)

Quantum error correction decoheres noise, S.J. Beale, J.J. Wallman, M. Gutierrez, K.R. Brown, and R. Laflamme, Phys. Rev. Lett. 121, 190501 (2018)

Spectroscopy of molecular ions in Coulomb crystals, A.T. Calvin and K.R. Brown, J. Phys. Chem. Lett. 9, 5797-5804 (2018)

Comparing Zeeman qubits to hyperfine qubits in the context of the surface code: 174Yb+ and 171Yb+, N.C. Brown and K.R. Brown, Phys. Rev. A 97, 052301 (2018)

Simulating the performance of a distance-3 surface code in a linear ion trap, C.J. Trout, M. Li, M. Gutierrez, Y. Wu, S.-T. Wang, L. Duan, and K.R Brown, New J. Phys. 20, 043038 (2018)

Rovibronic spectroscopy of sympathetically cooled 40CaH+, A.T. Calvin, S. Janardan, J. Condoluci, R. Rugango, E. Pretzsch, G. Shu, and K.R. Brown, J. Phys. Chem A 122, 3177 (2018)

Robust 2-qubit gates in a linear ion crystal using a frequency-modulated driving force, P. H. Leung, K. A. Landsman, C. Figgatt, N. M. Linke, C. Monroe, and K. R. Brown, Phys. Rev. Lett. 120, 020501 (2018)


Journal Articles

Reassigning the CaH+ 1 1Σ→ 2 1Σ vibronic transition with CaD+, J. Condoluci, S. Janardan, A.T. Calvin, R. Rugango, G. Shu, C. D. Sherrill, and K. R. Brown, J. Chem. Phys. 147, 214309 (2017)

Fault-tolerant quantum error detection, N.M. Linke, M. Gutierrez, K.A. Landsman, C. Figgatt, S. Debnath, K. R. Brown, and C. Monroe, Science Advances 3, e1701074 (2017)

Fault tolerance with bare ancillae for a [[7,1,3]] code, M. Li, M. Gutierrez, S.E. David, A. Hernandez, and  K. R. Brown, Phys. Rev. A 96, 032341 (2017)

Refereed Conference Proceedings

Optimized surface code communication in superconducting quantum computers, A. JavadiAbhari, P. Gokhale, A. Holmes, D. Franklin, K.R. Brown, M. Martonosi, F.T. Chong, in Proceedings of the 50th Annual IEEE/ACM International Symposium on Microarchitecture (MICRO-50), pp. 692-705 (2017)



Trapping and sympathetic cooling of Boron ions, R. Rugango, M. Sinhal, G. Shu, and K.R. Brown, arXiv:1609.09521 (2016)

Journal Articles

Co-designing a scalable quantum computer with trapped atomic ions, K.R. Brown, J. Kim, and C. Monroe, NPJ Quantum Inf. 2, 16034 (2016)

Vibronic spectroscopy of sympathetically cooled CaH+, R. Rugango, A.T. Calvin, S. Janardan, G. Shu, and K. R. Brown, ChemPhysChem 17, 3764 (2016)

Errors and pseudothresholds for incoherent and coherent noise, M. Gutierrez, C. Smith, L. Lulushi, S. Janardan, and K. R. Brown, Phys. Rev. A 94, 042338 (2016)

Transport implementation of the Bernstein-Vazirani algorithm with ion qubits, S.D. Fallek, C.D. Herold, B.J. McMahon, K.M. Maller, K.R. Brown and J.M. Amini, New. J. Phys. 18, 083030 (2016)

Analytical error analysis of Clifford gates by the fault-path tracer method, S. Janardan, Y. Tomita, M. Gutierrez, and K. R. Brown, Quantum Info. Process15, 3065 (2016)


Journal Articles

Error compensation of single-qubit gates in a surface electrode ion trap using composite pulses, E. Mount, C. Kabytayev, S. Crain, R. Harper, S.-Y. Baek, G. Vrijsen, S. Flammia, K.R. Brown, P. Maunz, and J. Kim, Phys. Rev. A. 92, 060301(R) (2015)

Modulating carrier and sideband coupling strengths in a standing wave gate beam, T.E. deLaubenfels, K.A. Burkhardt, Grahame Vittorini, J.T. Merrill, K.R. Brown, and J.M. Amini, Phys. Rev. A, 92, 061402(R) (2015)

Observation of vibrational overtones by single molecule resonant photodissociation, N.B. Khanyile, G. Shu, and K.R. Brown, Nat. Commun. 6, 7825 (2015)

Sympathetic cooling of molecular ion motion to the ground state, R. Rugango, J.E. Goeders, T.H. Dixon, J.M. Gray, N.B. Khanyile, G. Shu, R.J. Clark, and K.R. Brown, New J. Phys. 17, 035009 (2015)

Comparison of a quantum error correction threshold for exact and approximate errors, M. Gutiérrez and K. R. Brown, Phys. Rev. A 91, 022335 (2015)

Magic state distillation and gate compilation in quantum algorithms for quantum chemistry, C.J. Trout and K.R. Brown, Int. J. Quantum Chem. 115, 1296 (2015)

Refereed Conference Proceedings

Compiler management of communication and parallelism for quantum computation, J. Heckey, A. JavadiAbhari, S. Patil, D. Kudrow, K.R. Brown, D. Franklin, F.T. Chong, and M. Martonosi, in Proceedings of the 20th  International Conference on Architectural Support for Programming Languages and Operating Systems (ASPLOS 2015), pp. 445-456 (2015)

Laser-cooled atomic ions as probes of molecular ions, K.R. Brown, C.R. Viteri, C.R. Clark, J.E. Goeders, N.B. Khanyile,and G.D. Vittorini, AIP Conf. Proc. 1642, 392 (2015) [Contribution to symposium on Spectroscopy of Molecular Ions in the Laboratory and in (Extraterrestrial) Space (SMILES) part of the International Conference of Computational Methods in Sciences and Engineering (ICCMSE) 2010]


Journal Articles

Narrowband composite pulse sequences for addressing errors, J.T. Merrill, S.C. Doret, G. D. Vittorini, J.P. Addison, and K.R. Brown, Phys. Rev. A 90, 040301(R) (2014)

Robustness of composite pulses to time-dependent control noise, C. Kabytayev, T. Green, K. Khodjasteh, M. Biercuk, L. Viola, and K.R. Brown, Phys. Rev. A 90, 012316 (2014)

Heating rate and ion motion control in a Y-junction surface electrode trap, G. Shu, G. Vittorini, A. Buikema, C.S. Nichols, C. Volin,  D. Stick, and K.R. Brown, Phys. Rev. A 89, 062308 (2014)

Large scale modular quantum computer architecture with atomic memory and photonic interconnects, C. Monroe, R. Raussendorf, A. Ruthven, K.R. Brown, P. Maunz, L.-M. Duan, and J. Kim, Phys. Rev. A 89, 022317  (2014)


Journal Articles

Comparison of ancilla preparation and measurement procedures for the Steane [[7,1,3]] code on a model ion trap quantum computer, Y. Tomita, M. Gutierrez, C. Kabytayev, K.R. Brown, M.R. Hutsel, A. P. Morris, K.E. Stevens, and G. Mohler, Phys. Rev. A 88, 04336 (2013)      

Spatially uniform single-qubit gate operations with near-field microwaves and composite pulse compensation, C.M. Shappert, J.T. Merrill, K.R. Brown, J.M. Amini, C. Volin, S.C. Doret, H. Hayden, C.-S. Pai, K.R. Brown, and A.W. Harter, New J. Phys. 15, 083053 (2013)

Modular cryostat for ion trapping with surface-electrode ion traps, G. Vittorini, K. Wright, K.R. Brown, A.W. Harter, and S.C. Doret, Rev. Sci. Inst. 84, 043221 (2013)

Identification of single molecular ions by resolved sideband mass spectrometry, J. E. Goeders, C.R. Clark, G. Vittorini, K. Wright, C.R. Viteri, and K.R. Brown,  J. Phys. Chem. A 117, 9725 (2013)

Approximation of realistic error channels by Clifford channels and Pauli measurements, M. Gutierrez, L. Svec, A. Vargo, and K.R. Brown, Phys. Rev. A 87, 030302(R)  (2013)

Refereed Conference Proceedings

Quantum rotations: A case study in static and dynamic machine-code generation for quantum computers, D. Kudrow, K. Bier, Z.-x. Deng, D. Franklin, Y. Tomita, K.R. Brown, and F.T. Chong, in Proceedings of the 40th Annual International Symposium on Computer Architectures (ISCA’13),  pp. 166-176 (2013) 


Topological subsystem codes from graphs and hypergraphs, P. Sarvepalli and K.R. Brown, Phys. Rev. A 86, 042336 (2012)


Demonstration of integrated reflective optics in microfabricated ion traps, J.T. Merrill, C. Volin, D. Landgren, J. Amini, K. Wright, S.C. Doret, C.-S. Pai, H. Hayden, T. Killian, D. Faircloth, K.R. Brown, A.W. Harter, and R.E. Slusher, New J. Phys. 13, 103005 (2011)

Challenges of laser-cooling molecular ions, J.H.V. Nguyen, C.R. Viteri, E.G. Hohenstein, C.D. Sherrill, K.R. Brown, and B. Odom, New J. Phys. 13, 063023 (2011)


Analytical solution of thermal magnetization on memory stabilizer structures, Y. Tomita, C.R. Viteri, and K.R. Brown, Phys. Rev. A 82, 042303 (2010)

Making classical ground state spin computing fault-tolerant, I.J. Crosson, D. Bacon, and K.R. Brown, Phys. Rev. E 82, 031106 (2010)

Detection of single ion spectra by Coulomb crystal heating, C.R. Clark, J.E. Goeders, Y.K. Dodia, C.R. Viteri, and K.R. Brown, Phys. Rev. A 81, 043428 (2010)

Multi-qubit compensation sequences, Y. Tomita, J.T. Merrill, and K.R. Brown, New J. Phys. 12, 015002 (2010)


Monte Carlo analysis of critical phenomenon of the Ising model on memory stabilizer structures, C.R. Viteri, Y. Tomita, and K.R. Brown, Phys. Rev. A 80, 042313 (2009)

Design and characterization of a planar trap, U. Tanaka, R. Naka, F. Iwata, T. Ujimaru, K.R. Brown, I.L. Chuang, and S. Urabe, J. Phys. B: At. Mol. Opt. Phys. 42, 154006 (2009)

Resource requirements for fault-tolerant quantum simulation: The ground state of the transverse Ising model, C.R. Clark, T.S. Metodi, S.D. Gasster, and K.R. Brown, Phys. Rev. A 79, 062314 (2009)

A two-dimensional lattice ion trap for quantum simulation, R.J. Clark, T. Lin, K.R. Brown, and I.L. Chuang, J. Appl. Phys. 105, 013114 (2009)


Suppression of heating rates in cryogenic surface-electrode ion traps, J. Labaziewicz, Y. Ge, P. Antohi, D.R. Leibrandt, K.R. Brown, and I.L. Chuang, Phys. Rev. Lett. 100, 013001 (2008)


Energy protection arguments fail in the interaction picture, K.R. Brown, Phys. Rev. A 76, 022327 (2007)

Laser ablation loading of a surface-electrode ion trap, D. R. Leibrandt, R.J. Clark, J. Labaziewicz, P. Antohi, W. Bakr, K.R. Brown, and I.L. Chuang, Phys. Rev. A 76, 055403 (2007)

Compact, filtered diode laser system for precision spectroscopy, J. Labaziewicz, P. Richerme, K.R. Brown, I.L. Chuang, and K. Hayasaka, Optics Letters 32, 572 (2007)

Loading and characterization of a printed-circuit-board atomic ion trap, K.R. Brown, R.J. Clark, J. Labaziewicz, P. Richerme, D. R. Leibrandt, and I.L. Chuang, Phys. Rev. A 75, 015401 (2007)


Limitations of quantum simulation examined by simulating a pairing Hamiltonian using nuclear magnetic resonance, K.R. Brown, R.J. Clark, and I.L. Chuang, Phys. Rev. Lett. 97, 050504 (2006)

Experimental investigation of planar ion traps, C. Pearson, D. Leibrandt, W. Bakr, W.J. Mallard, K.R. Brown, and I. L. Chuang, Phys. Rev. A 73, 032307 (2006)

Bose-Einstein condensation in a mm-scale Ioffe-Pritchard trap, K.L. Moore, T.P. Purdy, K.W. Murch, K.R. Brown, K. Dani, S. Gupta, and D.M. Stamper-Kurn, Applied Physics B 82, 533 (2006)


Full protection of superconducting qubit systems from coupling errors, M.J. Storcz, J. Vala, K.R. Brown, J. Kempe, F.K. Wilhelm, and K.B. Whaley, Phys. Rev. B 72, 064511 (2005)

Bounds on the entanglability of thermal states in liquid-state nuclear magnetic resonance, T.M. Yu, K.R. Brown, and I.L. Chuang, Phys. Rev. A 71, 032341 (2005)


Arbitrarily accurate composite pulses, K.R. Brown, A.M. Harrow, and I.L. Chuang, Phys. Rev. A 70, 052318 (2004) 

Transmission spectrum of an optical cavity containing N atoms, S.A. Leslie, N. Shenvi, K.R. Brown, D.M. Stamper-Kurn, and K.B. Whaley, Phys. Rev. A 69, 043805 (2004)

Preliminary results on simulating a scalable fault tolerant ion-trap system for quantum computation, T. Metodiev, A. Cross, D. Thaker, K. Brown, D. Copsey, F. Chong, and I. Chuang, In 3rd Workshop on Non-Silicon Computing (NSC-3), Munich, Germany (2004)


Effects of noisy oracle on search algorithm complexity, N. Shenvi, K.R. Brown, and K.B. Whaley, Phys. Rev. A 68, 052313 (2003)

Deterministic N-photon generation, K.R. Brown, K. Dani, D.M. Stamper-Kurn, and K.B. Whaley, Phys. Rev. A 67, 043818 (2003)

Scalable ion trap quantum computation with pair-wise interactions only, K.R. Brown, J. Vala, and K.B. Whaley, Phys. Rev. A 67, 012309 (2003)


Quantum computation using quantum dots on linear supports, K.R. Brown, D.A. Lidar, and K.B. Whaley, Phys. Rev. A 65, 012307 (2002)


Coherence preserving quantum bits, D. Bacon, K.R. Brown, and K.B. Whaley, Phys. Rev. Lett. 87, 247902 (2001)


Quantum chemical analysis of para-substitution effects on the electronic structure of phenylnitrenium ions in the gas phase and aqueous solution, M.B. Sullivan, K. Brown, C.J. Cramer, and D.G. Truhlar, J. Am. Chem. Soc. 120, 11778 (1998)