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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

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

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

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

Implementation of an iterative algorithm for optimal control of molecular dynamics into MCTDH

2005-20092008Journal Article
M. Schröder, J.-L. Carreon-Macedo, and A. Brown*
Phys. Chem. Chem. Phys. 10, 850-856.
Publication year: 2008

Computational prediction of absorbance maxima for a structurally diverse series of engineered green fluorescent protein chromophores

2005-20092008Journal Article
Q. K. Timerghazin, H.J. Carlson, C. Liang, R.E. Campbell,* and A. Brown*
J. Phys. Chem. B 112, 2533-2541.
Publication year: 2008

The photodissociation of hydrogen iodide: Is it adiabatic?

2005-20092007Journal Article
A. Brown*
Int. J. Quant. Chem. 107, 2665-2671. [Special Issue on 11th European Workshop on Quantum Systems in Chemistry and Physics (QSCP-11)]
Publication year: 2007

Stimulated Raman adiabatic passage in molecules: The effects of background states

2005-20092007Journal Article
T. Cheng, H. Darmawan, and A. Brown*
Phys. Rev. A 75, 013411.
Publication year: 2007

Time-dependent wave packet studies of hydrogen halide dissociation: Polarization of atomic photofragments

2005-20092006Conference Proceedings
A, Brown
in Vector Correlation and Alignment in Chemistry, edited by G.G. Balint-Kurti and M.P. de Miranda (CCP6, Daresbury, 2006), pp. 73-78.
Publication year: 2006

Quantum computing with vibrational eigenstates: Pulse area theorem analysis

2005-20092006Journal Article
T. Cheng and A. Brown*
J. Chem. Phys. 124, 034111
Publication year: 2006

Pulse shaping for optimal control of molecular processes

2005-20092006Journal Article
T. Cheng and A. Brown*
J. Chem. Phys. 124, 144109.
Publication year: 2006

Photodissociation of HBr: I. Electronic structure, photodissociation dynamics, and vector correlation coefficients

2005-20092006Journal Article
A.G. Smolin, O.S. Vasyutinskii, G.G. Balint-Kurti, and A. Brown*
J. Phys. Chem. A 110, 5371-5378. [John C. Light Festschrift]
Publication year: 2006

Driven molecular dynamics for normal modes of biomolecules without the Hessian

2005-20092006Book Chapter
M. Kaledin, A.L. Kaledin, A. Brown, and J.M. Bowman*
in Normal Mode Analysis: Theory and Applications to Biological and Chemical Systems, edited by Q. Cui and I. Bahar, (CRC Press, 2006), pp. 281-300.
Publication year: 2006

Determination of the amplitudes and phases of the photofragmentation T matrix elements from experimental measurements

2005-20092006Journal Article
G.G. Balint-Kurti,* A. Brown, and O.S. Vasyutinskii
Phys. Scr. 73, C76-C82
Publication year: 2006