Journal Article

Publication Types:

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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

Quantum gate operations using mid-infrared binary shaped pulses on the rovibrational states of carbon monoxide

20102010-2014Journal Article
R.R. Zaari and A. Brown*
J. Chem. Phys., 132 014307.
Publication year: 2010

Realization of the CNOT Quantum Gate Operation in 6D Ammonia using the OCT-MCTDH Approach

2005-20092009Journal Article
M. Schröder and A. Brown*
J. Chem. Phys. 131 034101.
Publication year: 2009

Photophysical characterization of triazole substituted coumarin fluorophores

2005-20092009Journal Article
J. A. Key, S. Koh, Q. K. Timerghazin, A. Brown, and C.W. Cairo*
Dyes and Pigments 82, 196-203.
Publication year: 2009

Induced multiphoton adiabatic passage and coherent control of population in quantum systems with high energy transitions

2005-20092009Journal Article
H.K. Avetissian, A. Brown, and G.F. Mkrtchian*
Phys. Rev. A 80 033413.
Publication year: 2009

Generalized filtering of laser fields in optimal control theory: Application to symmetry filtering of quantum gate operations

2005-20092009Journal Article
M. Schröder and A. Brown*
New J. Phys., 11 105031.
Publication year: 2009

Electronic structure study and direct dynamics simulations of the ground and excited states of CH3OCl

2005-20092009Journal Article
S.Y.Y. Wong, P.N. Roy,* and A. Brown*
Can. J. Chem. 87, 1022–1029. [Tom Ziegler Special Issue]
Publication year: 2009

Photodissociation dynamics: Polarization of atomic fragments

2005-20092008Conference Proceedings
A. Brown, G.G. Balint-Kurti, and O.S. Vasyutinskii
in Atoms and Molecules in Laser and External Fields, M. Mohan ed. (Narosa Publishing House, New Dehli, 2008), pp. 51-58.
Publication year: 2008

Optimal control theory for manipulating molecular processes

2008Review Article
G.G. Balint-Kurti, S. Zou, and A. Brown
Adv. Chem. Phys., Vol. 138, S.A. Rice ed. (Wiley, New York, 2008) pp.43-94.
Publication year: 2008
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