2010-2014

Publication Types:

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