Journal Article

Publication Types:

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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 Local CC2 and TDA-DFT Double Hybrid Study on BODIPY/aza- BODIPY Dimers as Heavy Atom Free Triplet Photosensitizers for Photodynamic Therapy Applications

2015-20192016Journal Article
M.R. Momeni and A. Brown*
J. Phys. Chem. A, 120, 2550−2560.
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

Why Do TD-DFT Excitation Energies of BODIPY/Aza-BODIPY Families Largely Deviate from Experiment? Answers from Electron Correlated and Multireference Methods

20152015-2019Journal Article
M.R. Momeni and A. Brown
J. Chem. Theory Comp. 11(6), 2619-2632.
Publication year: 2015

Two-photon absorption of fluorescent protein chromophores incorporating non-canonical amino acids: TD-DFT screening and classical dynamics

20152015-2019Journal Article
M. Alaraby Salem and A. Brown*
Phys.Chem.Chem.Phys., 2015, 17, 25563
Publication year: 2015

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

Carbene-bound Borane and Silane Adducts: A Comprehensive DFT Study on their Stability and Propensity for Hydride-mediated Ring Expansion

2010-20142013Journal Article
M. R. Momeni, E. Rivard, and A. Brown*
Organometallics 32 6201-6208.
Publication year: 2013

Ab initio potential energy and dipole moment surfaces for CS2: Determination of Molecular Vibrational Energies

2010-20142013Journal Article
. E. Pradhan, J.-L. Carreon-Macedo, J.E. Cuervo, M. Schroeder, and A. Brown*
J. Phys. Chem. A, 117, 6925-6931.
Publication year: 2013

The vibrationally mediated photodissociation of Cl2

2010-20142012Journal Article
E.K. Campbell, A.B. Alekseyev, G.G. Balint-Kurti, M. Brouard,* A. Brown, R.J. Buenker A.J. Johnsen, D.B. Kokh, S. Lucas, and B. Winter
J. Chem. Phys. 137 124310.
Publication year: 2012

Substituted benzoxadiazoles as fluorogenic probes: A computational study of absorption and fluorescence

2010-20142012Journal Article
A. Brown,* T.Y. Ngai, M.A. Barnes, J.A. Key, and C.W. Cairo*
J. Phys. Chem. A 116 46-54.
Publication year: 2012

Nuclear quadrupole coupling constants for N2O: Experiment and Theory

2010-20142012Journal Article
A. Brown* and R.E. Wasylishen*
J. Phys. Chem. A 116, 9769-9776.
Publication year: 2012

Electronic polarization effects in the photodissociation of Cl2

2010-20142012Journal Article
E.K. Campbell, A.B. Alekseyev, G.G. Balint-Kurti, M. Brouard,* A. Brown, R.J. Buenker, R. Cireasa, A.J. Gilchrist, A.J. Johnsen, D.B. Kokh, S. Lucas, G.A.D. Ritchie, T.R. Sharples, and B. Winter,
J. Chem. Phys. 136 0164311.
Publication year: 2012

Effect of Laser Pulse Shaping Parameters on the Fidelity of Quantum Logic Gates

2010-20142012Journal Article
R.R. Zaari and A. Brown*
J. Chem. Phys. 137, 104306.
Publication year: 2012

Dissociation of a Protein-Fatty Acid Complex in the Gas Phase. Kinetic Isotope Effects Suggest a Late Transition State

2010-20142012
L. Liu, K. Michelsen, E.N. Kitova, P.D. Schnier, A. Brown, and J. S. Klassen*
J. Am. Chem. Soc. 134, 5931-5937.
Publication year: 2012

A complete quantum mechanical study of chlorine dissociation

2010-20142012Journal Article
A.J. Johnsen, A.B. Alekseyev, G.G. Balint Kurti, M. Brouard,* A. Brown, R.J. Buenker, E.K. Campbell, and D.B. Kokh
J. Chem. Phys. 136 0164310.
Publication year: 2012

Effect of diatomic molecular properties on binary laser pulse optimizations of quantum gate operations

2010-20142011Journal Article
R.R. Zaari and A. Brown*
J. Chem. Phys., 135 044317.
Publication year: 2011

Determination of Molecular Vibrational Energies using the ab initio Semiclassical Initial Value Representation: Application to formaldehyde

2010-20142011Journal Article
S.Y.Y. Wong, D. Benoit, M. Lewernz, A. Brown* and P.-N. Roy*
J. Chem. Phys., 134 094110.
Publication year: 2011
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