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A computational investigation on the antioxidant potential of myricetin 3,4'-di-O-α-L- rhamnopyranoside

2015-20192018Journal Article
R. A. Mendes, S.K.C. Almeida, I.N. Soares, C.A. Barboza, R.G. Freitas, A. Brown, and G.L.C. de Souza*
Journal of Molecular Modeling, 24, 133.
Publication year: 2018

Probing the nature of peripheral boryl groups within luminescent tellurophenes

2015-20192017Journal Article
C.A. Braun, D. Zomerman, I. de Aguiar, Y. Qi, W. Torres Delgado, M.J. Ferguson, R. McDonald, G.L.C. de Souza, G. He,* A. Brown,* and E. Rivard*
Faraday Discuss., 196, 255-268.
Publication year: 2017

Fitting potential energy surfaces to sum-of-products form with neural networks using exponential neurons

2015-20192017Journal ArticleReview Article
E. Pradhan and A. Brown*
Journal of Theoretical and Computational Chemistry, 16 (5), 1730001.
Publication year: 2017

Effects of hydrogen bonding with H2O on the resonance Raman spectra of uracil and thymine

2015-20192017Journal Article
S. Sun and A. Brown*
Computational and Theoretical Chemistry, 1100, 70–82.
Publication year: 2017

Bandgap-Tuning in Triple-Chalcogenophene Polymer Films by Thermal Annealing

2015-20192017Journal Article
D.M. González, K.N. Raftopoulos, G. He, C.M. Papadakis, A. Brown, E. Rivard, P. Müller-Buschbaum*
Macromol. Rapid Commun., 38, 1700065.
Publication year: 2017

A Ground State Potential Energy Surface for HONO based on a Neural Network with Exponential Fitting Functions

2015-20192017Journal Article
E. Pradhan and A. Brown*
Phys. Chem. Chem. Phys.,19, 22272-22281.
Publication year: 2017

Vibrational energies for HFCO using a neural network sum of exponentials potential energy surface

2015-20192016Journal Article
E. Pradhan and A. Brown*
Journal of Chemical Physics 144, 174305.
Publication year: 2016

Two-photon absorption in biological molecules

2015-20192016Book Chapter
M. Alaraby Salem, M. Gedik, and A. Brown
in Handbook of Computational Chemistry, ed. J. Leszczynski, pp.1-19 .
Publication year: 2016

The ground and excited states of HBrO2 [HOOBr, HOBrO, and HBr(O)O] and HBrO3 (HOOOBr and HOOBrO) isomers

2015-20192016Journal Article
G.L.C. de Souza and A. Brown*
Theoretical Chemistry Accounts, 135, 178.
Publication year: 2016

Prediction of two-photon absorption enhancement in red fluorescent protein chromophores made from non-canonical amino acids

2015-20192016Journal Article
M. Alaraby Salem, I. Twelves, and A. Brown*
Phys.Chem.Chem.Phys., 18, 24408.
Publication year: 2016

Neural network exponential fitting of a potential energy surface with multiple minima: Application to HFCO

2015-20192016Journal Article
E. Pradhan and A. Brown*
Journal of Molecular Spectroscopy, 330, 158–164
Publication year: 2016

A Tandem Green–Red Heterodimeric Fluorescent Protein with High FRET Efficiency

2015-20192016Journal Article
M.D. Wiens, Y. Shen, X. Li, M. Alaraby Salem , N. Smisdom, W. Zhang, A. Brown, R.E. Campbell*
ChemBioChem, 17 (24), 2361-2367.
Publication year: 2016

A DFT investigation on the structural and antioxidant properties of new isolated interglycosidic O-(1→3) linkage flavonols

2015-20192016Journal Article
G.L.C. de Souza1,* L.M.F. de Oliveira,· R.G. Vicari, A. Brown
J Mol Model, 22, 100.
Publication year: 2016

Simulation of the Resonance Raman Spectra For 5-Halogenated (F, Cl, and Br) Uracils

20152015-2019Journal Article
S. Sun and A. Brown
J. Phys. Chem. A, 119 (17), 3961-3971.
Publication year: 2015

Phosphorescence within Benzotellurophenes and Color Tunable Tellurophenes under Ambient Conditions

20152015-2019Journal Article
G. He, B.D. Wiltshire, P. Choi, A. Savin, S. Sun, A. Mohammadpour, M.J. Ferguson, R. McDonald, A. Brown,* K. Shankar* and E. Rivard*
Chem Comm. 51, 5444-5447.
Publication year: 2015

Interplay of Donor-acceptor Interactions in Stabilizing Boron Nitride Compounds: Insights from Theory

20152015-2019Journal Article
M.R. Momeni, L. Shulman, E. Rivard, and A. Brown
Phys. Chem. Chem. Phys. 17, 16525-16535.
Publication year: 2015

Current and Future Progress Towards Quantum Computation using Diatomic Molecules and Shaped Laser Pulses

20152015-2019Conference Proceedings
A. Brown and R.R. Zaari
in Advances in Laser Physics and Technology edited by M. Mohan, A. Kumar, M. Aranya B. Bhattacherjee and A.K. Razdan (Cambridge University Press, India, 2015).
Publication year: 2015

Two-photon absorption in fluorescent protein chromophores: TDDFT and CC2 results

2010-20142014Journal Article
M. Alaraby Salem and A. Brown*
J. Chem. Theory Comp. 10 (8), 3260–3269.
Publication year: 2014

The Dynamics of Quantum Computing in Molecules

2010-20142014Book Chapter
A. Brown and R.R. Zaari
in Molecular Quantum Dynamics: From Theory to Applications (Physical Chemistry in Action), edited by F. Gatti (Springer, Berlin, 2014), pp. 249-270.
Publication year: 2014

Simulation of the Resonance Raman Spectrum For Uracil

2010-20142014Journal Article
S. Sun and A. Brown*
J. Phys. Chem. A 118 9228-9238.
Publication year: 2014

Probing Ground and Low-Lying Excited States for HIO2 Isomers

20142015-2019Journal Article
G.L.C. de Souza and A. Brown
J. Chem. Phys. 141, 234303.
Publication year: 2014

Coaxing Solid State Phosphorescence from Tellurophenes

2010-20142014Journal Article
G.He, W.Torres Delgado, D.J.Schatz, C.Merten, A.Mohammadpour, L.Mayr, M.J. Ferguson, R. McDonald, A. Brown, K. Shankar* and E. Rivard*
Angew. Chemie Int. Ed. 53 4587-4591.
Publication year: 2014

Accessing Zinc Monohydride Cations via Coordinative Interactions

2010-20142014Journal Article
P.A. Lummis, M. R. Momeni, M.W. Lui, R. McDonald, M.J. Ferguson, M. Miskolzie, A. Brown* and E. Rivard*
Angew. Chem. Int. Ed. 53 9347-9351.
Publication year: 2014

Stable Complexes of Parent Digermene: an Inorganic Analogue of Ethylene

2010-20142013Journal Article
S. M. I. Al-Rafia, M. R. Momeni, R. McDonald, M. J. Ferguson, A. Brown* and E. Rivard*
Organometallics 32 6658-6665
Publication year: 2013

Hyperfine Constants for Aluminum Hydride and Aluminum Deuteride

2010-20142013Journal Article
A. Brown* and R.E. Wasylishen*
J. Mol. Spectrosc. 292 8-14.
Publication year: 2013

Controlled Growth of Dichlorogermanium Oligomers from Lewis Basic Hosts

2010-20142013Journal Article
S. M. I. Al-Rafia, M. R. Momeni, R. McDonald, M. J. Ferguson, A. Brown and E. Rivard*
Angew. Chemie. Int. Ed. 52 6390-6395 (VIP Article).
Publication year: 2013

Computational Study of the Excited State Properties of Modified RNA Nucleobases

2010-20142013Journal Article
M. Gedik and A. Brown*
J. Photochem. and Photobiol. A: Chemistry, 259 25-32.
Publication year: 2013