Publications

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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

The effects of permanent dipole moments on stimulated Raman adiabatic passage

2005-20092007Journal Article
A. Brown*
Chem. Phys. 342, 16-24.
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

Photodissociation of HI and DI: Testing models for electronic structure via polarization of atomic photofragments

20052005-2009Journal Article
D.N. Jodoin and A. Brown*
J. Chem. Phys. 123, 054301.
Publication year: 2005

Photodissociation of HI and DI: Polarization of atomic photofragments

20052005-2009Journal Article
A. Brown*
J. Chem. Phys. 122, 084301.
Publication year: 2005

Ab initio PESs, cross sections and product quantum state distributions for the low-lying electronic states of N2O

20052005-2009Journal Article
M.N. Daud, G.G. Balint-Kurti, and A. Brown*
J. Chem. Phys 122, 054305.
Publication year: 2005

Time-dependent wavepacket calculations for reactive scattering and photodissociation

2004Review Article
G.G. Balint-Kurti and A.Brown
in Theory of the Dynamics of Elemental Chemical Reactions, edited by A. Lagana and G. Lendvay (Kluwer, Dordrecht, 2004), 149-185.
Publication year: 2004

Quantum and classical studies of vibrational motion of CH5+ on a global potential energy surface obtained from a novel ab initio direct dynamics approach

2000-20042004Journal Article
A. Brown, A.B. McCoy, B.J. Braams, Z. Jin and J.M. Bowman*
J. Chem. Phys. 121, 4105-4116.
Publication year: 2004

Photodissociation of HCl and DCl: Polarization of atomic photofragments

2000-20042004Journal Article
A. Brown,* G.G. Balint-Kurti, and O.S. Vasyutinskii
J. Phys. Chem. A 108, 7790-7800. [Richard Bersohn Memorial Issue]
Publication year: 2004

Normal-mode analysis using the driven molecular dynamics method. II. An application to biological macromolecules

2000-20042004Journal Article
M. Kaledin, A. Brown, A.L. Kaledin, and J.M. Bowman*
J. Chem. Phys. 121, 5646-5653.
Publication year: 2004

Carrier-envelope phase effects for a dipolar molecule interacting with two-color pump-probe laser pulses

2000-20042004Journal Article
T. Cheng and A. Brown*
Phys. Rev. A 70, 063411.
Publication year: 2004

Ab initio DMC calculations of the quantum behavior of CH5+

2000-20042004Journal Article
A.B. McCoy, B.J. Braams, A. Brown, X. Huang, Z. Jin and J.M. Bowman*
J. Phys. Chem. A 108, 4991-4994.
Publication year: 2004

Theoretical calculation of the translation-rotation collision-induced absorption in N2-N2, O2-O2, and N2-O2 pairs

2000-20042003Journal Article
J. Boissoles, C. Boulet, R.H. Tipping, A. Brown, and Q. Ma
J. Quant. Spect. Rad. Trans. 82, 505-516. [HITRAN Molecular Spectroscopic database Special Issue]
Publication year: 2003

Spin polarized hydrogen atoms from molecular photodissociation

2000-20042003Journal Article
T.P. Rakitzis, P.C. Samartzis, R.L. Toomes, T.N. Kitsopoulos, A. Brown, G.G. Balint-Kurti, O.S. Vasyutinskii, and J.A. Beswick
Science 300, 1936-1938.
Publication year: 2003

Normal-mode analysis without the Hessian: A driven molecular dynamics approach

2000-20042003Journal Article
J.M. Bowman,* X. Zhang, and A. Brown
J. Chem. Phys. 119, 646-650.
Publication year: 2003

Full-dimensionality quantum calculations of acetylene/vinylidene isomerization

2000-20042003Journal Article
S.Zou, J.M. Bowman,* and A. Brown
J. Chem. Phys. 118, 10012-10023.
Publication year: 2003

Collision-induced absorption in dipolar molecule-homonuclear diatomic pairs

2000-20042003Book Chapter
A.Brown and R.H. Tipping
in Weakly Interacting Molecular Pairs: Unconventional Absorbers of Radiation in the Atmosphere, edited by C. Camy-Peret and A.A. Vigasin (Kluwer, Dordrecht, 2003), 93-97.
Publication year: 2003

Classical and quasiclassical spectral analysis of CH5+ using an ab initio potential energy surface

2000-20042003Journal Article
A. Brown, B.J. Braams, K. Christoffel, Z. Jin, and J.M. Bowman*
J. Chem. Phys. 119, 8790-8793.
Publication year: 2003

Vector correlations and alignment parameters in the photodissociation of HF and DF

2000-20042002Journal Article
G.G. Balint-Kurti, A.J. Orr-Ewing, J.A. Beswick, A. Brown, and O.S. Vasyutinskii
J. Chem. Phys. 116, 10760-10771.
Publication year: 2002

Two-color pulsed-laser phase control in dipolar molecules: Rotating-wave approximation versus exact results

2000-20042002Journal Article
A. Brown, W.J. Meath, and P. Tran
Phys. Rev. A 65, 063401.
Publication year: 2002

Two-color pulsed laser excitation of dipolar molecules: Absolute laser carrier phase effects

2000-20042002Journal Article
A. Brown*
Phys. Rev. A 66, 053404.
Publication year: 2002

Collision-induced absorption in the v2 fundamental band of CH4: II. Dependence on the perturber gas

2000-20042002Journal Article
J.-M. Hartmann, C. Brodbeck, P.-M. Flaud, R.H. Tipping, A. Brown, Q. Ma, and J. Liévin
J. Chem. Phys. 116, 123-127.
Publication year: 2002
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