List of works by Bryan M. Wong

(E)-2-{Eth-yl[4-(4-nitro-phenyl-diazen-yl)phen-yl]amino}ethyl anthracene-9-carboxyl-ate

scientific article published on 15 February 2008

(E)-4-[(4-Nitro-phen-yl)diazen-yl]phenyl anthracene-9-carboxyl-ate

scientific article published on 8 November 2008

A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor

scientific article published in April 2011

A Highly Stretchy, Transparent Elastomer with the Capability to Automatically Self-Heal Underwater

scientific article published on 9 October 2018

A Long-Range Electric Field Solver for Molecular Dynamics Based on Atomistic-to-Continuum Modeling

scientific article published on 05 May 2011

A Non-Thermal Plasma Route to Plasmonic TiN Nanoparticles

scientific article published on 19 January 2017

A Transparent, Self-Healing, Highly Stretchable Ionic Conductor

scientific article published on 23 December 2016

A high-spin ground-state donor-acceptor conjugated polymer

scientific article published on 24 May 2019

A highly efficient dinuclear Cu(II) chemosensor for colorimetric and fluorescent detection of cyanide in water

scientific article published on 17 October 2014

A new approach toward transition state spectroscopy

scientific article published in January 2013

A new interpretation of the structure and solvent dependence of the far UV circular dichroism spectrum of short oligopeptides

scientific article published on 01 May 2019

A prediction of dislocation-free CdTe/CdS photovoltaic multilayers via nano-patterning and composition grading

scientific article published on 12 May 2015

A quantum defect model for the s, p, d, and f Rydberg series of CaF.

scientific article published in March 2011

A refined parameterization of the analytical Cd-Zn-Te bond-order potential

scientific article published on 13 November 2013

A self-assembled fluoride-water cyclic cluster of [F(H2O)]4(4-) in a molecular box.

scientific article

A theoretical and experimental kinetic study of phenyl radical addition to butadiene

scientific article published in January 2005

Ab initio metadynamics calculations of dimethylamine for probing pKb variations in bulk vs. surface environments

scientific article published on 11 November 2020

Absorption and fluorescence properties of oligothiophene biomarkers from long-range-corrected time-dependent density functional theory

scientific article published on 24 April 2009

Absorption and fluorescence signatures of 1,2,3-triazole based regioisomers: challenging compounds for TD-DFT

Acceleration of Parallel-Blocked QR Decomposition of Tall-and-Skinny Matrices on FPGAs

scientific article published on 10 May 2021

Accuracy of existing atomic potentials for the CdTe semiconductor compound.

scientific article published in June 2011

Accurate Electron Affinities and Orbital Energies of Anions from a Nonempirically Tuned Range-Separated Density Functional Theory Approach

scientific article published on 24 March 2017

Accurate inertias for large-amplitude motions: improvements on prevailing approximations.

scientific article published in June 2006

Additional Insights between Fermi-Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT

scientific article published on 26 October 2018

An Efficient and Accurate Formalism for the Treatment of Large Amplitude Intramolecular Motion

scientific article published on 12 June 2012

An Experimental and Modeling Study of Nanoparticle Formation and Growth from Dimethylamine and Nitric Acid

scientific article published on 20 June 2019

An MM and QM Study of Biomimetic Catalysis of Diels-Alder Reactions Using Cyclodextrins.

scientific article published on 29 January 2018

An exclusive fluoride receptor: Fluoride-induced proton transfer to a quinoline-based thiourea

scientific article published on February 2014

Analytical Bond-Order Potential for the Cd–Te–Se Ternary System

scientific article published on 25 August 2014

Analytical bond-order potential for the Cd-Zn-Te ternary system

scientific article published on 17 December 2012

Analytical bond-order potential for the cadmium telluride binary system

scientific article published on 22 March 2012

Analytical calculations of molecular integrals for multielectron R-matrix methods.

scientific article

Anion Complexation Studies of 3-Nitrophenyl-Substituted Tripodal Thiourea Receptor: A Naked-Eye Detection of Sulfate via Fluoride Displacement Assay.

scientific article published on 18 December 2017

Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4− cluster

scientific article published in 2014

Anomalous Optoelectronic Properties of Chiral Carbon Nanorings…and One Ring to Rule Them All(23.)

scientific article

Binding and selectivity of dihydrogen phosphate by H-bond donors and acceptors in a tripodal-based thiourea receptor

scientific article published in January 2015

Breaking Badly: DFT-D2 Gives Sizeable Errors for Tensile Strengths in Palladium-Hydride Solids

scientific article published on 13 October 2015

Bridgehead Imine Substituted Cyclopentadithiophene Derivatives: An Effective Strategy for Band Gap Control in Donor–Acceptor Polymers

scientific article published on 7 February 2013

Charge-assisted encapsulation of two chlorides by a hexaprotonated azamacrocycle

scientific article published in March 2010

Chemical and Radiation Stability of Ionic Liquids: A Computational Screening Study

scientific article published on 30 November 2016

Color detection using chromophore-nanotube hybrid devices

scientific article published on March 2009

Colorimetric and Optical Discrimination of Halides by a Simple Chemosensor

scientific article published on January 2015

Comparison of Molecular Dynamics with Classical Density Functional and Poisson-Boltzmann Theories of the Electric Double Layer in Nanochannels

scientific article published on May 2012

Confined Lithium-Sulfur Reactions in Narrow-Diameter Carbon Nanotubes Reveal Enhanced Electrochemical Reactivity

scientific article published on 24 September 2018

Correction to Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas.

scientific article published on 20 November 2017

Correlating Li+-Solvation Structure and its Electrochemical Reaction Kinetics with Sulfur in Subnano Confinement.

scientific article published on 17 March 2018

Coumarin dyes for dye-sensitized solar cells: A long-range-corrected density functional study

scientific article

Covalent Atomic Bridges Enable Unidirectional Enhancement of Electronic Transport in Aligned Carbon Nanotubes

scientific article published on 14 May 2019

Defect formation dynamics during CdTe overlayer growth

scientific article published on 22 June 2012

Defluorination of Per- and Polyfluoroalkyl Substances (PFASs) with Hydrated Electrons: Structural Dependence and Implications to PFAS Remediation and Management

scientific article published on 15 March 2019

Degradation of Perfluoroalkyl Ether Carboxylic Acids with Hydrated Electrons: Structure-Reactivity Relationships and Environmental Implications

scientific article published on 30 January 2020

Donor–acceptor polymers with tunable infrared photoresponse

scientific article published in 2017

Effect of Dipolar Molecule Structure on the Mechanism of Graphene-Enhanced Raman Scattering

scientific article published on 17 June 2016

Effect of quantum tunneling on the efficiency of excitation energy transfer in plasmonic nanoparticle chain waveguides

scientific article published in 2018

Electric potential invariants and ions-in-molecules effective potentials for molecular Rydberg states.

scientific article published on December 2016

Electron beam synthesis of metal and semiconductor nanoparticles using metal-organic frameworks as ordered precursors

scientific article published on 18 August 2011

Electronic Properties of Vinylene-Linked Heterocyclic Conducting Polymers: Predictive Design and Rational Guidance from DFT Calculations

scientific article published on 13 July 2011

Electronic Signatures of Large Amplitude Motions: Dipole Moments of Vibrationally Excited Local-Bend and Local-Stretch States of S0Acetylene†

scientific article published in September 2006

Electronic structure of the S1 state in methylcobalamin: insight from CASSCF/MC-XQDPT2, EOM-CCSD, and TD-DFT calculations

scientific article published on 19 January 2013

Electronically Excited States of Vitamin B12: Benchmark Calculations Including Time-Dependent Density Functional Theory and Correlated ab Initio Methods

scientific article published on 24 February 2011

Energy and charge transfer by donor–acceptor pairs confined in a metal–organic framework: a spectroscopic and computational investigation

article

Enhanced photocurrent efficiency of a carbon nanotube p–n junction electromagnetically coupled to a photonic structure

scientific article published on 18 February 2009

Evolution of Chemical Bonding during HCN⇄HNC Isomerization as Revealed through Nuclear Quadrupole Hyperfine Structure

scientific article published on 7 April 2008

Field Programmable Gate Arrays for Enhancing the Speed and Energy Efficiency of Quantum Dynamics Simulations

scientific article published on 27 March 2020

Formation of an Amine-Water Cyclic Pentamer: A New Type of Water Cluster in a Polyazacryptand

scientific article published in April 2010

Fractional occupation numbers and self-interaction correction-scaling methods with the Fermi-Löwdin orbital self-interaction correction approach

scientific article published on 11 February 2020

Functionalization of Single-Wall Carbon Nanotubes with Chromophores of Opposite Internal Dipole Orientation

scientific article published on 27 September 2013

Giant Raman Response to the Encapsulation of Sulfur in Narrow Diameter Single-Walled Carbon Nanotubes

scientific article published on 16 December 2015

HADOKEN: An open-source software package for predicting electron confinement effects in various nanowire geometries and configurations

scientific article published in 2022

Halogen Bonding Interactions: Revised Benchmarks and a New Assessment of Exchange vs Dispersion

scientific article published on 4 December 2017

Harnessing Plasma Environments for Ammonia Catalysis: Mechanistic Insights from Experiments and Large-Scale <i>Ab Initio</i> Molecular Dynamics

scientific article published on 03 December 2020

Harnessing Semi-Supervised Machine Learning to Automatically Predict Bioactivities of Per- and Polyfluoroalkyl Substances (PFASs)

scientific article published in 2022

Harnessing deep neural networks to solve inverse problems in quantum dynamics: machine-learned predictions of time-dependent optimal control fields

scientific article published on 16 September 2020

Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems

scientific article published on 27 March 2019

High Magnetic Field Detunes Vibronic Resonances in Photosynthetic Light Harvesting

scientific article published on 10 September 2018

High-fidelity simulations of CdTe vapor deposition from a bond-order potential-based molecular dynamics method

scientific article published in June 2012

Highly selective and sensitive macrocycle-based dinuclear foldamer for fluorometric and colorimetric sensing of citrate in water

scientific article published on 10 January 2018

Improved Band Gaps and Structural Properties from Wannier-Fermi-Löwdin Self-Interaction Corrections for Periodic Systems

scientific article published on 22 October 2020

Inconsistencies in the Electronic Properties of Phosphorene Nanotubes: New Insights from Large-Scale DFT Calculations

scientific article published on 21 October 2016

Indirect but Efficient: Laser-Excited Electrons Can Drive Ultrafast Polarization Switching in Ferroelectric Materials

scientific article published on 07 June 2019

Investigating the Reactivity of 1,4-Anthracene-Incorporated Cycloparaphenylene

scientific article published on 22 March 2016

Is a cross-β-sheet structure of low molecular weight peptides necessary for the formation of fibrils and peptide hydrogels?

scientific article published in 2018

Isolation of Pristine Electronics Grade Semiconducting Carbon Nanotubes by Switching the Rigidity of the Wrapping Polymer Backbone on Demand

scientific article

Iterative Reductive Aromatization/Ring-Closing Metathesis Strategy toward the Synthesis of Strained Aromatic Belts.

scientific article

Large-scale atomistic simulations of helium-3 bubble growth in complex palladium alloys

scientific article published in May 2016

Linear Polarizabilities and Second Hyperpolarizabilities of Streptocyanines: Results from Broken-Symmetry DFT and New CCSD(T) Benchmarks

scientific article published on 3 October 2018

Melt-Growth Dynamics in CdTe Crystals

scientific article published on 15 June 2012

Molecular Dynamics Studies of Dislocations in CdTe Crystals from a New Bond Order Potential

scientific article published on 31 July 2012

NIC-CAGE: An open-source software package for predicting optimal control fields in photo-excited chemical systems

scientific article published in 2021

Nanoarchitectonics of Metal-Free Porous Polyketone as Photocatalytic Assemblies for Artificial Photosynthesis

scientific article published on 28 December 2021

Nanoscale effects on heterojunction electron gases in GaN/AlGaN core/shell nanowires

scientific article published on 30 June 2011

Noncovalent interactions in supramolecular complexes: a study on corannulene and the double concave buckycatcher

scientific article

Nonempirically Tuned Range-Separated DFT Accurately Predicts Both Fundamental and Excitation Gaps in DNA and RNA Nucleobases

scientific article published on 2 July 2012

Novel metal–organic framework linkers for light harvesting applications

scientific article published in 2014

Nuclear quadrupole hyperfine structure in HC14N/H14NC and DC15N/D15NC isomerization: a diagnostic tool for characterizing vibrational localization

scientific article published in 2008

On the non-thermal plasma synthesis of nickel nanoparticles

scientific article published on 23 August 2017

Optical, structural, and numerical investigations of GaAs/AlGaAs core-multishell nanowire quantum well tubes

scientific article published on 25 February 2013

Optoelectronic Properties of Carbon Nanorings: Excitonic Effects from Time-Dependent Density Functional Theory

scientific article published on 10 December 2009

Optoelectronic and Excitonic Properties of Oligoacenes: Substantial Improvements from Range-Separated Time-Dependent Density Functional Theory

scientific article published on 11 November 2010

Orientation of a Monolayer of Dipolar Molecules on Graphene from X-ray Absorption Spectroscopy

scientific article published on 26 February 2014

PAMELA: An open-source software package for calculating nonlocal exact exchange effects on electron gases in core-shell nanowires

scientific article published in September 2012

Persistent radical anion polymers based on naphthalenediimide and a vinylene spacer

scientific article published in 2018

Photophysical and theoretical investigations of the [8]cycloparaphenylene radical cation and its charge-resonance dimer

Physical removal of metallic carbon nanotubes from nanotube network devices using a thermal and fluidic process

scientific article published on 15 February 2013

Polarizabilities of π-Conjugated Chains Revisited: Improved Results from Broken-Symmetry Range-Separated DFT and New CCSD(T) Benchmarks.

scientific article published on 22 June 2016

Poly((2-alkylbenzo[1,2,3]triazole-4,7-diyl)vinylene)s for organic solar cells

scientific article published on 24 July 2015

Polycation Binders: An Effective Approach toward Lithium Polysulfide Sequestration in Li–S Batteries

Potential-Driven Electron Transfer Lowers the Dissociation Energy of the C-F Bond and Facilitates Reductive Defluorination of Perfluorooctane Sulfonate (PFOS)

scientific article published on 09 September 2019

Preferential Charge Generation at Aggregate Sites in Narrow Band Gap Infrared Photoresponsive Polymer Semiconductors

scientific article published on 13 February 2018

Quantum confinement of excitons in wurtzite InP nanowires

scientific article published on 21 May 2015

Raman Enhancement of a Dipolar Molecule on Graphene

scientific article published on 16 January 2014

Rational design of a macrocyclic-based chemosensor for anions

scientific article published in March 2010

Real-Time Quantum Dynamics Reveals Complex, Many-Body Interactions in Solvated Nanodroplets

scientific article published on 26 February 2016

Real-Time Quantum Dynamics of Long-Range Electronic Excitation Transfer in Plasmonic Nanoantennas

scientific article published on 5 July 2017

Results for aliovalent doping of CeBr3 with Ca2+

scientific article published on 21 January 2014

Reversible, opto-mechanically induced spin-switching in a nanoribbon-spiropyran hybrid material

scientific article

Ring currents modulate optoelectronic properties of aromatic chromophores at 25 T

scientific article published on 08 May 2020

Self-assembled cyclic oligothiophene nanotubes: Electronic properties from a dispersion-corrected hybrid functional

scientific article published on 8 August 2011

Self-assembly of ordered water tetramers in an encapsulated [Br(H2O)12]− complex

scientific article published in 2012

Separation of long-range and short-range interactions in Rydberg states of diatomic molecules

scientific article published on 21 May 2008

Solid state lithiation-delithiation of sulphur in sub-nano confinement: a new concept for designing lithium-sulphur batteries.

scientific article

Solution-processable donor-acceptor polymers with modular electronic properties and very narrow bandgaps

scientific article published on 30 June 2014

Solvation Structure of Surface-Supported Amine Fragments: A Molecular Dynamics Study

Spectral- and Pulse-Shape Discrimination in Triplet-Harvesting Plastic Scintillators

scientific article published in December 2012

Spectroscopic properties of nanotube-chromophore hybrids

scientific article published on 21 September 2011

Spectroscopic, structural, and theoretical studies of halide complexes with a urea-based tripodal receptor

scientific article published on 12 March 2012

Stress sensing in polycaprolactone films via an embedded photochromic compound

scientific article published in June 2010

Structural and Electronic Properties of Graphdiyne Carbon Nanotubes from Large-Scale DFT Calculations

scientific article published on 17 August 2016

Studies of intersystem crossing dynamics in acetylene

scientific article

Sulfate radical oxidation of aromatic contaminants: a detailed assessment of density functional theory and high-level quantum chemical methods

scientific article published on 23 February 2017

Sultam-Based Hetero[5]helicene: Synthesis, Structure, and Crystallization-Induced Emission Enhancement

scientific article published on 20 December 2016

Synthesis, characterization, and computational studies of cycloparaphenylene dimers

scientific article published on 20 November 2012

Temperature and Molecular Size Dependence of the High-Pressure Limit

scientific article published in August 2003

The Importance of Short- and Long-Range Exchange on Various Excited State Properties of DNA Monomers, Stacked Complexes, and Watson-Crick Pairs

scientific article

The diamine cation is not a chemical example where density functional theory fails

scientific article published in Nature Communications

Thermochemistry of Alane Complexes for Hydrogen Storage: A Theoretical and Experimental Investigation

scientific article published on 30 March 2011

Thermodynamic calculations for molecules with asymmetric internal rotors. II. Application to the 1,2-dihaloethanes

scientific article published in February 2008

Thermodynamic calculations for molecules with asymmetric internal rotors—application to 1,3-butadiene

scientific article published in 2007

Thermoelectric Performance of an Open-Shell Donor–Acceptor Conjugated Polymer Doped with a Radical-Containing Small Molecule

scientific article published on 11 May 2018

Ultrafast photoinduced band splitting and carrier dynamics in chiral tellurium nanosheets

scientific article published on 10 August 2020

Understanding gas phase modifier interactions in rapid analysis by differential mobility-tandem mass spectrometry

scientific article published on 23 January 2014

Unusual Bandgap Oscillations in Template-Directed π-Conjugated Porphyrin Nanotubes

scientific article

Water-Mediated Electronic Structure of Oligopeptides Probed by Their UV Circular Dichroism, Absorption Spectra, and Time-Dependent DFT Calculations

scientific article published on 24 March 2020

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