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Bryan M. Wong, Ph.D. - Publications

Affiliations: 
Materials Science & Engineering Program University of California, Riverside, Riverside, CA, United States 
 Department of Chemistry University of California, Riverside, Riverside, CA, United States 
 Department of Physics & Astronomy University of California, Riverside, Riverside, CA, United States 
Area:
Computational Chemistry and Materials Science
Website:
http://alum.mit.edu/www/usagi
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Year Citation  Score
2022 Liu Z, Oviedo MB, Wong BM, Aikens CM. Plasmon-induced excitation energy transfer in silver nanoparticle dimers: A real-time TDDFTB investigation. The Journal of Chemical Physics. 156: 154705. PMID 35459307 DOI: 10.1063/5.0082960  0.605
2021 Raza A, Hong C, Wang X, Kumar A, Shelton CR, Wong BM. NIC-CAGE: An open-source software package for predicting optimal control fields in photo-excited chemical systems Computer Physics Communications. 258: 107541. DOI: 10.1016/J.Cpc.2020.107541  0.307
2020 Rao U, Su Y, Khor CM, Jung B, Ma S, Cwiertny DM, Wong BM, Jassby D. Structural Dependence of Reductive Defluorination of Linear PFAS Compounds in a UV/Electrochemical System. Environmental Science & Technology. PMID 32786552 DOI: 10.1021/Acs.Est.0C02773  0.369
2020 Jnawali G, Xiang Y, Linser SM, Shojaei IA, Wang R, Qiu G, Lian C, Wong BM, Wu W, Ye PD, Leng Y, Jackson HE, Smith LM. Ultrafast photoinduced band splitting and carrier dynamics in chiral tellurium nanosheets. Nature Communications. 11: 3991. PMID 32778660 DOI: 10.1038/S41467-020-17766-5  0.532
2020 Kudisch B, Maiuri M, Moretti L, Oviedo MB, Wang L, Oblinsky DG, Prud'homme RK, Wong BM, McGill SA, Scholes GD. Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T. Proceedings of the National Academy of Sciences of the United States of America. PMID 32385159 DOI: 10.1073/Pnas.1918148117  0.634
2020 Rodrı Guez-Borbón JM, Kalantar A, Yamijala SSRKC, Oviedo MB, Najjar W, Wong BM. Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations. Journal of Chemical Theory and Computation. PMID 32216276 DOI: 10.1021/Acs.Jctc.9B01284  0.635
2020 Kumar A, Toal SE, DiGuiseppi D, Schweitzer-Stenner R, Wong BM. Water-Mediated Electronic Structure of Oligopeptides Probed by Their UV Circular Dichroism, Absorption Spectra, and Time-Dependent DFT Calculations. The Journal of Physical Chemistry. B. PMID 32207305 DOI: 10.1021/Acs.Jpcb.0C00657  0.764
2020 Aquino FW, Shinde R, Wong BM. Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach. Journal of Computational Chemistry. PMID 32045026 DOI: 10.1002/Jcc.26168  0.335
2020 Bentel MJ, Yu Y, Xu L, Kwon H, Li Z, Wong BM, Men Y, Liu J. Degradation of Perfluoroalkyl Ether Carboxylic Acids with Hydrated Electrons: Structure-Reactivity Relationships and Environmental Implications. Environmental Science & Technology. PMID 31999101 DOI: 10.1021/Acs.Est.9B05869  0.319
2020 Yamijala SSRKC, Shinde R, Wong BM. Real-time degradation dynamics of hydrated per- and polyfluoroalkyl substances (PFASs) in the presence of excess electrons. Physical Chemistry Chemical Physics : Pccp. PMID 31989122 DOI: 10.1039/C9Cp06797C  0.312
2019 Su Y, Rao U, Khor CM, Jensen MG, Teesch LM, Wong BM, Cwiertny DM, Jassby D. Potential-Driven Electron Transfer Lowers the Dissociation Energy of the C-F Bond and Facilitates Reductive Defluorination of Perfluorooctane Sulfonate (PFOS). Acs Applied Materials & Interfaces. PMID 31436952 DOI: 10.1021/Acsami.9B10449  0.35
2019 London AE, Chen H, Sabuj MA, Tropp J, Saghayezhian M, Eedugurala N, Zhang BA, Liu Y, Gu X, Wong BM, Rai N, Bowman MK, Azoulay JD. A high-spin ground-state donor-acceptor conjugated polymer. Science Advances. 5: eaav2336. PMID 31139745 DOI: 10.1126/Sciadv.Aav2336  0.686
2019 Chen M, Li W, Kumar A, Li G, Itkis ME, Wong BM, Bekyarova E. Covalent Atomic Bridges Enable Unidirectional Enhancement of Electronic Transport in Aligned Carbon Nanotubes. Acs Applied Materials & Interfaces. PMID 31083961 DOI: 10.1021/Acsami.9B01400  0.325
2019 Kumar A, Schweitzer-Stenner R, Wong BM. A new interpretation of the structure and solvent dependence of the far UV circular dichroism spectrum of short oligopeptides. Chemical Communications (Cambridge, England). PMID 31032831 DOI: 10.1039/C9Cc01513B  0.574
2019 Allec SI, Sun Y, Sun J, Chang CA, Wong BM. Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems. Journal of Chemical Theory and Computation. PMID 30916958 DOI: 10.1021/Acs.Jctc.8B01239  0.776
2019 Bentel MJ, Yu Y, Xu L, Li Z, Wong BM, Men Y, Liu J. Defluorination of Per- and Polyfluoroalkyl Substances (PFASs) with Hydrated Electrons: Structural Dependence and Implications to PFAS Remediation and Management. Environmental Science & Technology. PMID 30874441 DOI: 10.1021/Acs.Est.8B06648  0.309
2019 Lian C, Ali ZA, Wong BM. Charge density wave hampers exciton condensation in 1T−TiSe2 Physical Review B. 100. DOI: 10.1103/Physrevb.100.205423  0.349
2019 Yamijala SSRKC, Ali ZA, Wong BM. Acceleration vs Accuracy: Influence of Basis Set Quality on the Mechanism and Dynamics Predicted by Ab Initio Molecular Dynamics Journal of Physical Chemistry C. 123: 25113-25120. DOI: 10.1021/Acs.Jpcc.9B03554  0.324
2019 Matxain JM, Ugalde JM, Mujica V, Allec SI, Wong BM, Casanova D. Chirality Induced Spin Selectivity of Photoexcited Electrons in Carbon‐Sulfur [ n ]Helicenes Chemphotochem. 3: 770-777. DOI: 10.1002/CPTC.201900128  0.757
2018 Ali ZA, Aquino FW, Wong BM. The diamine cation is not a chemical example where density functional theory fails. Nature Communications. 9: 4733. PMID 30413712 DOI: 10.1038/S41467-018-07266-Y  0.358
2018 Cao Y, Wu H, Allec SI, Wong BM, Nguyen DS, Wang C. A Highly Stretchy, Transparent Elastomer with the Capability to Automatically Self-Heal Underwater. Advanced Materials (Deerfield Beach, Fla.). e1804602. PMID 30368928 DOI: 10.1002/Adma.201804602  0.776
2018 Xu L, Kumar A, Wong BM. Linear Polarizabilities and Second Hyperpolarizabilities of Streptocyanines: Results from Broken-Symmetry DFT and New CCSD(T) Benchmarks. Journal of Computational Chemistry. PMID 30368834 DOI: 10.1002/Jcc.25519  0.339
2018 Fu C, Oviedo MB, Zhu Y, von Wald Cresce A, Xu K, Li G, Itkis ME, Haddon RC, Chi M, Han Y, Wong BM, Guo J. Confined Lithium-Sulfur Reactions in Narrow-Diameter Carbon Nanotubes Reveal Enhanced Electrochemical Reactivity. Acs Nano. PMID 30247879 DOI: 10.1021/Acsnano.7B08778  0.681
2018 Scholes GD, Maiuri M, Oviedo MB, Bishop M, Dean JC, Kudisch BJ, Toa ZSD, Wong BM, McGill SA. High Magnetic Field Detunes Vibronic Resonances in Photosynthetic Light Harvesting. The Journal of Physical Chemistry Letters. PMID 30199266 DOI: 10.1021/Acs.Jpclett.8B02748  0.645
2018 Ilawe NV, Schweitzer-Stenner R, DiGuiseppi D, Wong BM. Is a cross-β-sheet structure of low molecular weight peptides necessary for the formation of fibrils and peptide hydrogels? Physical Chemistry Chemical Physics : Pccp. PMID 29696249 DOI: 10.1039/C8Cp00691A  0.774
2018 Fu C, Xu L, Aquino FW, von Wald Cresce A, Gobet M, Greenbaum SG, Xu K, Wong BM, Guo J. Correlating Li-Solvation Structure and Its Electrochemical Reaction Kinetics with Sulfur in Sub-Nano Confinement. The Journal of Physical Chemistry Letters. PMID 29551062 DOI: 10.1021/Acs.Jpclett.8B00567  0.346
2018 Ilawe NV, Oviedo MB, Wong BM. Effect of quantum tunneling on the efficiency of excitation energy transfer in plasmonic nanoparticle chain waveguides Journal of Materials Chemistry C. 6: 5857-5864. DOI: 10.1039/C8Tc01466C  0.773
2018 Debnath S, Boyle CJ, Zhou D, Wong B, Kittilstved KR, Venkataraman D. Persistent radical anion polymers based on naphthalenediimide and a vinylene spacer Rsc Advances. 8: 14760-14764. DOI: 10.1039/C8Ra02417K  0.557
2018 Joo Y, Huang L, Eedugurala N, London AE, Kumar A, Wong BM, Boudouris BW, Azoulay JD. Thermoelectric Performance of an Open-Shell Donor–Acceptor Conjugated Polymer Doped with a Radical-Containing Small Molecule Macromolecules. 51: 3886-3894. DOI: 10.1021/Acs.Macromol.8B00582  0.693
2018 Sulas DB, London AE, Huang L, Xu L, Wu Z, Ng TN, Wong BM, Schlenker CW, Azoulay JD, Sfeir MY. Preferential Charge Generation at Aggregate Sites in Narrow Band Gap Infrared Photoresponsive Polymer Semiconductors Advanced Optical Materials. 6: 1701138. DOI: 10.1002/Adom.201701138  0.686
2017 Anderson LN, Aquino FW, Raeber AE, Chen X, Wong BM. Halogen Bonding Interactions: Revised Benchmarks and a New Assessment of Exchange vs. Dispersion. Journal of Chemical Theory and Computation. PMID 29202234 DOI: 10.1021/Acs.Jctc.7B01078  0.784
2017 Ilawe NV, Oviedo MB, Wong BM. Correction to Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas. Journal of Chemical Theory and Computation. PMID 29155584 DOI: 10.1021/Acs.Jctc.7B01150  0.783
2017 Ilawe NV, Oviedo MB, Wong BM. Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas. Journal of Chemical Theory and Computation. PMID 28679057 DOI: 10.1021/Acs.Jctc.7B00423  0.794
2017 Anderson LN, Oviedo MB, Wong BM. Accurate Electron Affinities and Orbital Energies of Anions from a Non-Empirically Tuned Range-Separated DFT Approach. Journal of Chemical Theory and Computation. PMID 28339200 DOI: 10.1021/Acs.Jctc.6B01249  0.662
2017 London AE, Huang L, Zhang BA, Oviedo MB, Tropp J, Yao W, Wu Z, Wong BM, Ng TN, Azoulay JD. Donor–acceptor polymers with tunable infrared photoresponse Polymer Chemistry. 8: 2922-2930. DOI: 10.1039/C7Py00241F  0.736
2017 Alvarez Barragan A, Ilawe NV, Zhong L, Wong BM, Mangolini L. A Non-Thermal Plasma Route to Plasmonic TiN Nanoparticles The Journal of Physical Chemistry C. 121: 2316-2322. DOI: 10.1021/Acs.Jpcc.6B08910  0.769
2016 Virk TS, Ilawe NV, Zhang G, Yu CP, Wong BM, Chan JMW. Sultam-Based Hetero[5]helicene: Synthesis, Structure, and Crystallization-Induced Emission Enhancement. Acs Omega. 1: 1336-1342. PMID 31457199 DOI: 10.1021/acsomega.6b00335  0.771
2016 Cao Y, Morrissey TG, Acome E, Allec SI, Wong BM, Keplinger C, Wang C. A Transparent, Self-Healing, Highly Stretchable Ionic Conductor. Advanced Materials (Deerfield Beach, Fla.). PMID 28009480 DOI: 10.1002/Adma.201605099  0.766
2016 Coy SL, Grimes DD, Zhou Y, Field RW, Wong BM. Electric potential invariants and ions-in-molecules effective potentials for molecular Rydberg states. The Journal of Chemical Physics. 145: 234301. PMID 27984864 DOI: 10.1063/1.4968228  0.508
2016 Allec SI, Wong BM. Inconsistencies in the Electronic Properties of Phosphorene Nanotubes: New Insights from Large-Scale DFT Calculations. The Journal of Physical Chemistry Letters. 4340-4345. PMID 27767315 DOI: 10.1021/Acs.Jpclett.6B02271  0.801
2016 Oviedo MB, Ilawe NV, Wong BM. Polarizabilities of π-Conjugated Chains Revisited: Improved Results from Broken-Symmetry Range-Separated DFT and New CCSD(T) Benchmarks. Journal of Chemical Theory and Computation. PMID 27331862 DOI: 10.1021/Acs.Jctc.6B00360  0.787
2016 Allec SI, Ilawe NV, Wong BM. Unusual Bandgap Oscillations in Template-Directed π-Conjugated Porphyrin Nanotubes. The Journal of Physical Chemistry Letters. PMID 27280489 DOI: 10.1021/Acs.Jpclett.6B01020  0.789
2016 Hale LM, Zimmerman JA, Wong BM. Large-scale atomistic simulations of helium-3 bubble growth in complex palladium alloys. The Journal of Chemical Physics. 144: 194705. PMID 27208963 DOI: 10.1063/1.4948789  0.566
2016 Golder MR, Colwell CE, Wong BM, Zakharov LN, Zhen J, Jasti R. Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy Towards the Synthesis of Strained Aromatic Belts. Journal of the American Chemical Society. PMID 27133789 DOI: 10.1021/Jacs.6B02240  0.595
2016 Li P, Wong BM, Zakharov LN, Jasti R. Investigating the Reactivity of 1,4-Anthracene-Incorporated Cycloparaphenylene. Organic Letters. PMID 27002794 DOI: 10.1021/Acs.Orglett.6B00430  0.614
2016 Oviedo MB, Wong BM. Real-Time Quantum Dynamics Reveals Complex, Many-Body Interactions in Solvated Nanodroplets. Journal of Chemical Theory and Computation. PMID 26918732 DOI: 10.1021/Acs.Jctc.5B01019  0.649
2016 Ilawe NV, Fu J, Ramanathan S, Wong BM, Wu J. Chemical and Radiation Stability of Ionic Liquids: A Computational Screening Study The Journal of Physical Chemistry C. 120: 27757-27767. DOI: 10.1021/Acs.Jpcc.6B08138  0.781
2016 Pari S, Cuéllar A, Wong BM. Structural and Electronic Properties of Graphdiyne Carbon Nanotubes from Large-Scale DFT Calculations Journal of Physical Chemistry C. 120: 18871-18877. DOI: 10.1021/Acs.Jpcc.6B05265  0.379
2016 Joo Y, Kim M, Kanimozhi C, Huang P, Wong BM, Singha Roy S, Arnold MS, Gopalan P. Effect of Dipolar Molecule Structure on the Mechanism of Graphene-Enhanced Raman Scattering The Journal of Physical Chemistry C. 120: 13815-13824. DOI: 10.1021/Acs.Jpcc.6B04098  0.571
2015 Haque SA, Bolhofner RL, Wong BM, Hossain A. Colorimetric and Optical Discrimination of Halides by a Simple Chemosensor. Rsc Advances. 5: 38733-38741. PMID 26989484 DOI: 10.1039/C5Ra02372F  0.318
2015 Li G, Fu C, Oviedo MB, Chen M, Tian X, Bekyarova E, Itkis ME, Wong BM, Guo J, Haddon RC. Giant Raman Response to the Encapsulation of Sulfur in Narrow Diameter Single-Walled Carbon Nanotubes. Journal of the American Chemical Society. PMID 26675065 DOI: 10.1021/Jacs.5B10598  0.688
2015 Raeber AE, Wong BM. The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs. Journal of Chemical Theory and Computation. 11: 2199-209. PMID 26574420 DOI: 10.1021/Acs.Jctc.5B00105  0.796
2015 Ilawe NV, Zimmerman JA, Wong BM. Breaking Badly: DFT-D2 Gives Sizeable Errors for Tensile Strengths in Palladium-Hydride Solids. Journal of Chemical Theory and Computation. 11: 5426-35. PMID 26574331 DOI: 10.1021/Acs.Jctc.5B00653  0.784
2015 Joo Y, Brady GJ, Shea MJ, Oviedo MB, Kanimozhi C, Schmitt SK, Wong BM, Arnold MS, Gopalan P. Isolation of Pristine Electronics Grade Semiconducting Carbon Nanotubes by Switching the Rigidity of the Wrapping Polymer Backbone on Demand. Acs Nano. 9: 10203-13. PMID 26348205 DOI: 10.1021/Acsnano.5B03835  0.711
2015 Ilawe NV, Raeber AE, Schweitzer-Stenner R, Toal SE, Wong BM. Assessing backbone solvation effects in the conformational propensities of amino acid residues in unfolded peptides. Physical Chemistry Chemical Physics : Pccp. 17: 24917-24. PMID 26343224 DOI: 10.1039/C5Cp03646A  0.742
2015 Guss P, Foster ME, Wong BM, Doty FP, Shah K, Squillante MR, Shirwadkar U, Hawrami R, Tower J, Stampahar T, Mukhopadhyay S. Linearity response of Ca2+-doped CeBr3 as a function of gamma-ray energy Proceedings of Spie - the International Society For Optical Engineering. 9593. DOI: 10.1117/12.2186181  0.622
2015 Pemasiri K, Jackson HE, Smith LM, Wong BM, Paiman S, Gao Q, Tan HH, Jagadish C. Quantum confinement of excitons in wurtzite InP nanowires Journal of Applied Physics. 117. DOI: 10.1063/1.4921109  0.531
2015 Raeber AE, Wong BM. The importance of short- and long-range exchange on various excited state properties of DNA monomers, stacked complexes, and Watson-Crick pairs Journal of Chemical Theory and Computation. 11: 2199-2209. DOI: 10.1021/acs.jctc.5b00105  0.776
2015 Akpinar H, Cevher ?C, Wei L, Cirpan A, Wong BM, Venkataraman D, Lahti PM. Poly((2-alkylbenzo[1,2,3]triazole-4,7-diyl)vinylene)s for organic solar cells Journal of Polymer Science, Part B: Polymer Physics. DOI: 10.1002/Polb.23785  0.678
2015 Zhou XW, Ward DK, Doty FP, Zimmerman JA, Wong BM, Cruz-Campa JL, Nielson GN, Chavez JJ, Zubia D, Mcclure JC. A prediction of dislocation-free CdTe/CdS photovoltaic multilayers via nano-patterning and composition grading Progress in Photovoltaics: Research and Applications. DOI: 10.1002/Pip.2628  0.572
2014 Foster ME, Zhang BA, Murtagh D, Liu Y, Sfeir MY, Wong BM, Azoulay JD. Solution-processable donor-acceptor polymers with modular electronic properties and very narrow bandgaps. Macromolecular Rapid Communications. 35: 1516-21. PMID 24979470 DOI: 10.1002/Marc.201400228  0.775
2014 Katan C, Savel P, Wong BM, Roisnel T, Dorcet V, Fillaut JL, Jacquemin D. Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT. Physical Chemistry Chemical Physics : Pccp. 16: 9064-73. PMID 24695804 DOI: 10.1039/C4Cp00478G  0.372
2014 Johnson PS, Huang C, Kim M, Safron NS, Arnold MS, Wong BM, Gopalan P, Himpsel FJ. Orientation of a monolayer of dipolar molecules on graphene from X-ray absorption spectroscopy. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 2559-65. PMID 24520997 DOI: 10.1021/La500183B  0.655
2014 Kafle A, Coy SL, Wong BM, Fornace AJ, Glick JJ, Vouros P. Understanding gas phase modifier interactions in rapid analysis by differential mobility-tandem mass spectrometry. Journal of the American Society For Mass Spectrometry. 25: 1098-113. PMID 24452298 DOI: 10.1007/S13361-013-0808-5  0.503
2014 Shi T, Jackson HE, Smith LM, Yarrison-Rice JM, Wong B, Etheridge J, Jiang N, Gao Q, Tan HH, Jagadish C. Localization of Excitons in Thin Core-Multi-Shell Quantum Well Tubes Mrs Proceedings. 1659: 135-138. DOI: 10.1557/Opl.2014.357  0.538
2014 Guss P, Foster ME, Wong BM, Patrick Doty F, Shah K, Squillante MR, Shirwadkar U, Hawrami R, Tower J, Yuan D. Results for aliovalent doping of CeBr3 with Ca2+ Journal of Applied Physics. 115. DOI: 10.1063/1.4861647  0.618
2014 Foster ME, Azoulay JD, Wong BM, Allendorf MD. Novel metal-organic framework linkers for light harvesting applications Chemical Science. 5: 2081-2090. DOI: 10.1039/C4Sc00333K  0.787
2014 Leong K, Foster ME, Wong BM, Spoerke ED, Van Gough D, Deaton JC, Allendorf MD. Energy and charge transfer by donor-acceptor pairs confined in a metal-organic framework: A spectroscopic and computational investigation Journal of Materials Chemistry A. 2: 3389-3398. DOI: 10.1039/C3Ta14328G  0.667
2014 Zhou XW, Foster ME, Van Swol FB, Martin JE, Wong BM. Analytical bond-order potential for the Cd-Te-Se ternary system Journal of Physical Chemistry C. 118: 20661-20679. DOI: 10.1021/Jp505915U  0.586
2014 Huang C, Kim M, Wong BM, Safron NS, Arnold MS, Gopalan P. Raman enhancement of a dipolar molecule on graphene Journal of Physical Chemistry C. 118: 2077-2084. DOI: 10.1021/Jp410749A  0.55
2013 Zhao Y, Huang C, Kim M, Wong BM, Léonard F, Gopalan P, Eriksson MA. Functionalization of single-wall carbon nanotubes with chromophores of opposite internal dipole orientation. Acs Applied Materials & Interfaces. 5: 9355-61. PMID 24060382 DOI: 10.1021/Am4024753  0.707
2013 Prozument K, Shaver RG, Ciuba MA, Muenter JS, Park GB, Stanton JF, Guo H, Wong BM, Perry DS, Field RW. A new approach toward transition state spectroscopy. Faraday Discussions. 163: 33-57; discussion 11. PMID 24020195 DOI: 10.1039/C3Fd20160K  0.766
2013 Fickenscher M, Shi T, Jackson HE, Smith LM, Yarrison-Rice JM, Zheng C, Miller P, Etheridge J, Wong BM, Gao Q, Deshpande S, Tan HH, Jagadish C. Optical, structural, and numerical investigations of GaAs/AlGaAs core-multishell nanowire quantum well tubes. Nano Letters. 13: 1016-22. PMID 23421755 DOI: 10.1021/Nl304182J  0.549
2013 Ford AC, Shaughnessy M, Wong BM, Kane AA, Kuznetsov OV, Krafcik KL, Billups WE, Hauge RH, Léonard F. Physical removal of metallic carbon nanotubes from nanotube network devices using a thermal and fluidic process. Nanotechnology. 24: 105202. PMID 23416509 DOI: 10.1088/0957-4484/24/10/105202  0.597
2013 Kornobis K, Kumar N, Lodowski P, Jaworska M, Piecuch P, Lutz JJ, Wong BM, Kozlowski PM. Electronic structure of the S1 state in methylcobalamin: insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations. Journal of Computational Chemistry. 34: 987-1004. PMID 23335227 DOI: 10.1002/Jcc.23204  0.801
2013 Leong K, Foster ME, Wong BM, Spoerke ED, Gough D, Deaton JC, Allendorf MD. Nano-ordering of donor-acceptor interactions using Metal-Organic Frameworks as scaffolds Ecs Transactions. 58: 21-28. DOI: 10.1149/05811.0021ecst  0.557
2013 Guss P, Foster ME, Wong BM, Doty FP, Shah K, Squillante MR, Shirwadkar U, Hawrami R, Tower J, Yuan D. Studies on Ca2+-doped CeBr3 scintillating materials Proceedings of Spie. 8854: 885406. DOI: 10.1117/12.2021342  0.633
2013 Hale LM, Wong BM, Zimmerman JA, Zhou XW. Atomistic potentials for palladium-silver hydrides Modelling and Simulation in Materials Science and Engineering. 21. DOI: 10.1088/0965-0393/21/4/045005  0.569
2013 Golder MR, Wong BM, Jasti R. Photophysical and theoretical investigations of the [8]cycloparaphenylene radical cation and its charge-resonance dimer Chemical Science. 4: 4285-4291. DOI: 10.1039/C3Sc51861B  0.631
2013 Azoulay JD, Koretz ZA, Wong BM, Bazan GC. Bridgehead imine substituted cyclopentadithiophene derivatives: An effective strategy for band gap control in donor-acceptor polymers Macromolecules. 46: 1337-1342. DOI: 10.1021/Ma302569U  0.721
2012 Lee JW, Nilson RH, Templeton JA, Griffiths SK, Kung A, Wong BM. Comparison of Molecular Dynamics with Classical Density Functional and Poisson-Boltzmann Theories of the Electric Double Layer in Nanochannels. Journal of Chemical Theory and Computation. 8: 2012-2022. PMID 23316120 DOI: 10.1021/Ct3001156  0.771
2012 Xia J, Golder MR, Foster ME, Wong BM, Jasti R. Synthesis, characterization, and computational studies of cycloparaphenylene dimers. Journal of the American Chemical Society. 134: 19709-15. PMID 23130993 DOI: 10.1021/Ja307373R  0.762
2012 Zhou XW, Ward DK, Wong BM, Doty FP. Melt-growth dynamics in CdTe crystals. Physical Review Letters. 108: 245503. PMID 23004290 DOI: 10.1103/Physrevlett.108.245503  0.31
2012 Zhou X, Ward DK, Wong BM, Doty FP, Zimmerman JA. Molecular Dynamics Studies of Dislocations in CdTe Crystals from a New Bond Order Potential. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 116: 17563-17571. PMID 22962626 DOI: 10.1021/Jp3039626  0.568
2012 Reinisch G, Miki K, Vignoles GL, Wong BM, Simmons CS. An Efficient and Accurate Formalism for the Treatment of Large Amplitude Intramolecular Motion. Journal of Chemical Theory and Computation. 8: 2713-2724. PMID 22904694 DOI: 10.1021/Ct300278X  0.31
2012 Foster ME, Wong BM. Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases. Journal of Chemical Theory and Computation. 8: 2682-2687. PMID 22904693 DOI: 10.1021/Ct300420F  0.635
2012 Pramanik A, Powell DR, Wong BM, Hossain MA. Spectroscopic, structural, and theoretical studies of halide complexes with a urea-based tripodal receptor. Inorganic Chemistry. 51: 4274-84. PMID 22409384 DOI: 10.1021/Ic202747Q  0.301
2012 Wong BM, Ye SH, O'Bryan G. Reversible, opto-mechanically induced spin-switching in a nanoribbon-spiropyran hybrid material. Nanoscale. 4: 1321-7. PMID 22228399 DOI: 10.1039/C2Nr11543C  0.65
2012 Ward DK, Zhou XW, Wong BM, Doty FP, Zimmerman JA. Analytical bond-order potential for the Cd-Zn-Te ternary system Physical Review B - Condensed Matter and Materials Physics. 86. DOI: 10.1103/Physrevb.86.245203  0.59
2012 Zhou XW, Ward DK, Wong BM, Doty FP, Zimmerman JA, Nielson GN, Cruz-Campa JL, Gupta VP, Granata JE, Chavez JJ, Zubia D. High-fidelity simulations of CdTe vapor deposition from a bond-order potential-based molecular dynamics method Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.245302  0.571
2012 Ward DK, Zhou XW, Wong BM, Doty FP, Zimmerman JA. Analytical bond-order potential for the cadmium telluride binary system Physical Review B - Condensed Matter and Materials Physics. 85. DOI: 10.1103/Physrevb.85.115206  0.597
2012 Long AW, Wong BM. PAMELA: An open-source software package for calculating nonlocal exact exchange effects on electron gases in core-shell nanowires Aip Advances. 2. DOI: 10.1063/1.4754603  0.665
2012 Kay JJ, Coy SL, Wong BM, Jungen C, Field RW. Publishers Note: "A quantum defect model for the s, p, d, and f Rydberg series of CaF" (The Journal of Chemical Physics (2011 ) 134 (114313)) Journal of Chemical Physics. 136. DOI: 10.1063/1.3685477  0.633
2011 Templeton JA, Jones RE, Lee JW, Zimmerman JA, Wong BM. A Long-Range Electric Field Solver for Molecular Dynamics Based on Atomistic-to-Continuum Modeling. Journal of Chemical Theory and Computation. 7: 1736-49. PMID 26596437 DOI: 10.1021/Ct100727G  0.776
2011 Wong BM, Lee JW. Anomalous Optoelectronic Properties of Chiral Carbon Nanorings…and One Ring to Rule Them All(23.) The Journal of Physical Chemistry Letters. 2: 2702-2706. PMID 24920994 DOI: 10.1021/Jz2012534  0.581
2011 Wong BM, Cordaro JG. Electronic Properties of Vinylene-Linked Heterocyclic Conducting Polymers: Predictive Design and Rational Guidance from DFT Calculations. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 115: 18333-18341. PMID 22540020 DOI: 10.1021/Jp204849E  0.372
2011 Huang C, Wang RK, Wong BM, McGee DJ, Léonard F, Kim YJ, Johnson KF, Arnold MS, Eriksson MA, Gopalan P. Spectroscopic properties of nanotube-chromophore hybrids. Acs Nano. 5: 7767-74. PMID 21919456 DOI: 10.1021/Nn202725G  0.69
2011 Ward DK, Zhou XW, Wong BM, Doty FP, Zimmerman JA. Accuracy of existing atomic potentials for the CdTe semiconductor compound. The Journal of Chemical Physics. 134: 244703. PMID 21721653 DOI: 10.1063/1.3596746  0.585
2011 Wong BM, Léonard F, Li Q, Wang GT. Nanoscale effects on heterojunction electron gases in GaN/AlGaN core/shell nanowires. Nano Letters. 11: 3074-9. PMID 21696178 DOI: 10.1021/Nl200981X  0.318
2011 Işiklan M, Saeed MA, Pramanik A, Wong BM, Fronczek FR, Hossain A. A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor. Crystal Growth & Design. 11: 959-963. PMID 21552352 DOI: 10.1021/Cg2001859  0.406
2011 Kay JJ, Coy SL, Wong BM, Jungen C, Field RW. A quantum defect model for the s, p, d, and f Rydberg series of CaF. The Journal of Chemical Physics. 134: 114313. PMID 21428625 DOI: 10.1063/1.3565967  0.669
2011 Kornobis K, Kumar N, Wong BM, Lodowski P, Jaworska M, Andruniów T, Ruud K, Kozlowski PM. Electronically excited states of vitamin B12: benchmark calculations including time-dependent density functional theory and correlated ab initio methods. The Journal of Physical Chemistry. A. 115: 1280-92. PMID 21280654 DOI: 10.1021/Jp110914Y  0.801
2011 Wong BM, Ye SH. Self-assembled cyclic oligothiophene nanotubes: Electronic properties from a dispersion-corrected hybrid functional Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.075115  0.678
2011 Templeton JA, Jones RE, Lee JW, Zimmerman JA, Wong BM. A long-range electric field solver for molecular dynamics based on atomistic-to-continuum modeling Journal of Chemical Theory and Computation. 7: 1736-1749. DOI: 10.1021/ct100727g  0.759
2010 Wong BM, Hsieh TH. Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory. Journal of Chemical Theory and Computation. 6: 3704-3712. PMID 21170284 DOI: 10.1021/Ct100529S  0.716
2010 O'Bryan G, Wong BM, McElhanon JR. Stress sensing in polycaprolactone films via an embedded photochromic compound. Acs Applied Materials & Interfaces. 2: 1594-600. PMID 20568704 DOI: 10.1021/Am100050V  0.313
2010 Hossain MA, Saeed MA, Fronczek FR, Wong BM, Dey KR, Mendy JS, Gibson D. Charge-assisted encapsulation of two chlorides by a hexaprotonated azamacrocycle. Crystal Growth & Design. 10: 1478-1781. PMID 20495667 DOI: 10.1021/Cg100110F  0.44
2010 Saeed MA, Wong BM, Fronczek FR, Venkatraman R, Hossain MA. Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand. Crystal Growth & Design. 10: 1486-1488. PMID 20495666 DOI: 10.1021/Cg100161A  0.421
2009 Wong BM. Optoelectronic Properties of Carbon Nanorings: Excitonic Effects from Time-Dependent Density Functional Theory. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 113: 21921-21927. PMID 22481999 DOI: 10.1021/Jp9074674  0.402
2009 Wong BM, Piacenza M, Della Sala F. Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory. Physical Chemistry Chemical Physics : Pccp. 11: 4498-508. PMID 19475168 DOI: 10.1039/B901743G  0.38
2009 Zhou X, Zifer T, Wong BM, Krafcik KL, Léonard F, Vance AL. Color detection using chromophore-nanotube hybrid devices. Nano Letters. 9: 1028-33. PMID 19206226 DOI: 10.1021/Nl8032922  0.373
2009 Wong BM. Noncovalent interactions in supramolecular complexes: a study on corannulene and the double concave buckycatcher. Journal of Computational Chemistry. 30: 51-6. PMID 18504779 DOI: 10.1002/Jcc.21022  0.344
2009 Wong BM, Morales AM. Enhanced photocurrent efficiency of a carbon nanotube p-n junction electromagnetically coupled to a photonic structure Journal of Physics D: Applied Physics. 42. DOI: 10.1088/0022-3727/42/5/055111  0.316
2008 Wong BM, Cordaro JG. Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study. The Journal of Chemical Physics. 129: 214703. PMID 19063571 DOI: 10.1063/1.3025924  0.38
2008 Wong BM. Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization. Physical Chemistry Chemical Physics : Pccp. 10: 5599-606. PMID 18956095 DOI: 10.1039/B807672C  0.39
2008 Kay JJ, Coy SL, Petrovi? VS, Wong BM, Field RW. Separation of long-range and short-range interactions in Rydberg states of diatomic molecules. The Journal of Chemical Physics. 128: 194301. PMID 18500859 DOI: 10.1063/1.2907858  0.51
2008 Bechtel HA, Steeves AH, Wong BM, Field RW. Evolution of chemical bonding during HCN <==> HNC isomerization as revealed through nuclear quadrupole hyperfine structure. Angewandte Chemie (International Ed. in English). 47: 2969-72. PMID 18330877 DOI: 10.1002/Anie.200705399  0.659
2008 Wong BM, Fadri MM, Raman S. Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes. Journal of Computational Chemistry. 29: 481-7. PMID 17663439 DOI: 10.1002/Jcc.20807  0.368
2008 Wong BM. Charge-transfer properties of dye-sensitized solar cells via long-range-corrected density functional theory Materials Research Society Symposium Proceedings. 1120: 7-12. DOI: 10.1557/Proc-1120-M01-03  0.369
2008 Zhou XW, Zimmerman JA, Wong BM, Hoyt JJ. An embedded-atom method interatomic potential for Pd-H alloys Journal of Materials Research. 23: 704-718. DOI: 10.1557/Jmr.2008.0090  0.574
2007 Thom RL, Wong BM, Field RW, Stanton JF. Studies of intersystem crossing dynamics in acetylene. The Journal of Chemical Physics. 126: 184307. PMID 17508803 DOI: 10.1063/1.2730832  0.614
2007 Wong BM, Raman S. Thermodynamic calculations for molecules with asymmetric internal rotors--application to 1,3-butadiene. Journal of Computational Chemistry. 28: 759-66. PMID 17226834 DOI: 10.1002/Jcc.20536  0.336
2006 Wong BM, Steeves AH, Field RW. Electronic signatures of large amplitude motions: dipole moments of vibrationally excited local-bend and local-stretch states of S0 acetylene. The Journal of Physical Chemistry. B. 110: 18912-20. PMID 16986883 DOI: 10.1021/Jp061924X  0.504
2006 Wong BM, Thom RL, Field RW. Accurate inertias for large-amplitude motions: improvements on prevailing approximations. The Journal of Physical Chemistry. A. 110: 7406-13. PMID 16759129 DOI: 10.1021/Jp057504+  0.467
2006 Wong BM, Altunata SN, Field RW. Analytical calculations of molecular integrals for multielectron R-matrix methods. The Journal of Chemical Physics. 124: 14106. PMID 16409023 DOI: 10.1063/1.2137320  0.489
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