G.G. BALINT-KURTI:

 

List of Publications

 

1.         G.G. Balint-Kurti and M. Karplus, “Multistructure Valence-Bond and Atoms-in-Molecules Calculations for LiF, F2 and F2”.  J. Chem. Phys. 50, 478-488 (1969).

 

2.         R.D. Levine G.G. Balint-Kurti, “Opacity Analysis of Inelastic Molecular Collisions.  Exponential Approximations”.  Chem. Phys. Letters, 6, 101-105 (1970).

 

3.         G.G. Balint-Kurti and R.D. Levine, “Opacity Analysis of Inelastic Molecular Collisions.  Computational Studies of the Exponential Born Approximation for Rotational Excitation”.  Chem. Phys. Letters, 7 , 107-111 (1970).

 

4.         B.R. Johnson, G.G. Balint-Kurti and R.D. Levine, “The Determination of Bound and Quasi-Bound (Resonance) State Energies for Molecular Interactions”.  Chem. Phys. Letters, 7, 268-272 (1970).

 

5.         G.G. Balint-Kurti and M. Karplus, “Potential Energy Surfaces for Simple Chemical Reactions: Li + F2 ® LiF + F”.  Chem. Phys. Letters, 11, 203-207 (1971).

 

6.         G.G. Balint-Kurti, “Low-lying states of F2+”.  Molec. Phys., 22, 681-688 (1971).

 

7.         G.G. Balint-Kurti, “Potential Energy Surfaces for Simple Chemical Reactions,

            Li + F2 ® LiF + F”. Molec. Phys., 25 , 393-435 (1973).

 

8.         G.G. Balint-Kurti and B.R. Johnson, Comment on “The Exponential Semi-Classical Distorted Wave Approximation” in Faraday Discussions of Chem. Soc., 55 , 59-63 (1973).

 

9.         S. Bosanac and G.G. Balint-Kurti, “Procedure for Averaging Differential Cross Sections Over the Experimental Angular Resolution”, Molec. Phys. 29 , 623-631 (1975).  This has also been published in “Proceedings of S.R.C. Atlas Symposium No. 4: Quantum Chemistry - The State of the Art” , pages 43-48 (1974).

 

10.       S. Bosanac and G.G. Balint-Kurti, “Cross Sections for the Rotationally Inelastic Scattering of Ne + N2:  Application of the Exponential Semi-Classical Distorted Wave Approximation”.  Molec. Phys. 29 , 1797-1811 (1975).  A preliminary report on this work has also been published in “Proceedings of S.R.C. Atlas Symposium No. 4: Quantum Chemistry - The State of the Art” , pages 19-24 (1974).

 

11.       R.N. Yardley and G.G. Balint-Kurti, “Ab initio Valence-Bond Calculations on HF and LiH” in “Proceedings of S.R.C. Atlas Symposium No. 4: Quantum  Chemistry - The State of the Art” , pages 141-146 (1974).

 

12.       G.G. Balint-Kurti and M. Karplus “Atoms-in-Molecules”, Chapter 6 of Orbital Theories of Molecules and Solids, ed. N.H. March (The Clarendon Press Oxford, 1974) pages 250-310.

 

13.       G.G. Balint-Kurti, “Potential Energy Surfaces for Chemical Reactions”.  Advances in Chemical Physics, 30 , 137-184 (1975).

 

14.       G.G. Balint-Kurti, “The Theory of Rotationally Inelastic Molecular Collisions”, International review of Science, Series II, Vol. 1. Eds. A.D. Buckingham and C.A. Coulson (Butterworths) pages 286-326 (1975).

 

15.       G.G. Balint-Kurti and R.N. Yardley, “Investigation of the  state of  H2O+ using Valence-Bond Techniques”, Chem. Phys. Letters, 36 , 342-344 (1975).

 

16.       R.N. Yardley and G.G. Balint-Kurti, “Ab initio Valence-Bond Calculations on HF, LiH, LiH+ and LiF”, Molec. Phys. 31 , 921-941 (1976).

 

17.       R.N. Yardley and G.G. Balint-Kurti, “Potential Energy Surface for Li+Li2: An Ab initio Valence-Bond Calculation”, Chem. Phys. 16 , 287-294 (1976).

 

18.       P.W. Tasker, G.G. Balint-Kurti and R.N. Dixon, “A Calculation of the Potential Curves for the Halogen Molecule Negative Ions”, Molec. Phys., 32 , 1651-1660 (1976).

 

19.       G.G. Balint-Kurti and R.N. Yardley, “Potential Energy Surfaces for Simple Chemical Reactions:  Application of Valence-Bond Techniques to the Li + HF ® LiF + H Reaction”.  Faraday Discussions of Chem. Soc. 62 , 77-91 (1977).

 

20.       L. Eno and G.G. Balint-Kurti, “The Distorted Wave Infinite Order Sudden (DWIOS).  Approximation for the Calculation of Vibrationally Inelastic Molecular Collision cross Sections”, Chem. Phys., 23 , 295-306 (1977).

 

21.       R.N. Dixon, P.W. Tasker and G.G. Balint-Kurti, “The Ground and Low-Lying Excited Potential Curves of SO:  A Pseudopotential Multi-Structure Valence-Bond Calculation”, Molec. Phys., 34 , 1455-1471 (1977).

 

22.       G.G. Balint-Kurti and R.N. Yardley.  “MULTIBOND” (Version A) Ab initio Multistructure Valence-Bond Calculational System.  Quantum Chemistry Program Exchange Program 335 (1977).

 

23.       G.G. Balint-Kurti, “The Valence-Bond Pseudopotential Method”.  Daresbury study Weekend series No. 10, Correlated Wavefunctions, 51-58 (1977)  (Science Research Council, Daresbury Laboratory).

 

24.       L. Eno, G.G. Balint-Kurti and R. Saktreger, “Analytic Approximations to Distorted Wave Integrals for Inelastic Molecular Collision Cross Sections”, Chem. Phys., 29 , 453-463 (1978).

 

25.       L. Eno and G.G. Balint-Kurti, “The Centrifugally Decoupled Exponential Distorted Wave (CDEDW) Approximation for the Calculation of Rotationally Inelastic Molecular Collision Cross Sections”, Chem. Phys., 33 , 435-442 (1978).

 

26.       M. Shapiro and G.G. Balint-Kurti, “A New Method for the Exact Calculation of Vibrational-Rotational Energy Levels of Triatomic Molecules”, J. Chem. Phys., 71 , 1461-1476 (1979).

 

27.       L. Eno and G.G. Balint-Kurti, “The Adiabatic Distorted Wave Infinite Order Sudden (ADWIOS) Approximation for the Calculation of Inelastic Molecular Collision Cross sections”, J. Chem. Phys., 71 , 1447-1460 (1979).

 

28.       G.G. Balint-Kurti and L. Eno, “The Rapid Calculation of Rotationally and Vibrationally Inelastic Molecular Collision Cross Sections”, Comp. Phys. Comm., 17 , 85-88 (1979).

 

29.       G.G. Balint-Kurti, O.J. Martinussen-Runde and A.C. Silveira Ramos, “Ab initio Valence-Bond Calculation of Potential Energy Surfaces for the O+ + H2 ® OH+ + H  Reaction”.  Proceedings of Daresbury Study Weekend on Electron Correlation, Ed. M.F. Guest and S. Wilson, Science Research Council, Daresbury Laboratory, 109-111 (1979).

 

30.       G.G. Balint-Kurti, J.H. van Lenthe, R. Saktreger and L. Eno, “EDWIN - A program for Calculating Inelastic Molecular Collision Cross Sections Using the Exponential Distorted Wave and Related Methods”, Comp. Phys. Comm., 19 , 359-375 (1980).

 

31.       J.H. van Lenthe and G.G. Balint-Kurti, “The Valence-Bond SCF (VB-SCF) Method - Synopsis of Theory and Test Calculation of OH Potential Energy Curve”, Chem. Phys. Letters, 76 , 138-142 (1980).

 

32.       J.H. van Lenthe and G.G. Balint-Kurti, “The Optimisation of the Non-Orthogonal Orbitals in a General Valence-Bond Wavefunction - The VB-SCF Method”, Proceedings of NRCC Workshop No. 10 on Recent Developments and Applications of Multi-Configuration Hartree-Fock Methods, 65-67 (1980).

 

33.       L. Eno and G.G. Balint-Kurti. “An examination of the Use of Vibrationally adiabatic Basis Functions for the Calculation of Molecular Collision Cross Sections”, J. Chem. Phys., 75 , 690-697 (1981).

 

34.       G.G. Balint-Kurti, S.C. Leasure and T.P. Martin “An Ab initio Method for performing Valence Electron Only Calculations”, Chem. Phys. Letters, 81 , 297-302 (1981).

 

35.       I.F. Kidd, G.G. Balint-Kurti and M. Shapiro, “Exact Calculation of the Rotational-Vibrational Energy Levels of Triatomic Species”, Faraday Discussions of Chem. Soc. 71 , 287-300 (1981).

 

36.       G.G. Balint-Kurti and M. Shapiro, “Photofragmentation of Triatomic Molecules - Theory of Angular and State Distribution of Product Fragments”, Chemical Physics, 61 , 137-155 (1981).

 

37.       J.H. van Lenthe and G.G. Balint-Kurti, “The Valence-Bond Self Consistent Field Method (VB-SCF), Theory and Test Calculations”, J. Chem. Phys., 78 , 5699-5713 (1983).

 

38.       Y. Zeiri and G.G. Balint-Kurti, “The Theory of Alkali Halide Photofragmentation - Potential Energy curves and Transition Dipole Moments”, J. Molec. Spectros. 99 , 1-24 (1983).

 

39.       S.C. Leasure, T.P. Martin and G.G. Balint-Kurti, “Ab initio Valence-Electron-Only Calculations on Molecules:  Test Application to NaCl”, Chem. Phys. Letters, 96, 447-452 (1983).

 

40.       I.F. Kidd and G.G. Balint-Kurti, “Calculation of Photodissociation Cross Sections for Ar-H2 van der Waals Molecule”, Chem. Phys. Letters, 101, 419-423 (1983).

 

41.       S.C. Leasure, T.P. Martin and G.G. Balint-Kurti, “Ab initio Valence-Electron-Only Molecular Electronic Structure Calculations - Theory and Test Applications”, J. Chem. Phys., 80, 1186-1200 (1984).

 

42.       I.F. Kidd and G.G. Balint-Kurti, “Infrared Spectrum of Ar-HD - Simulation Through the Accurate Calculation of Photodissociation Cross Sections”, Chem. Phys. Letters, 105, 91-94 (1984).

 

43.       I.F. Kidd and G.G. Balint-Kurti, “Theoretical Calculation of Photodissociation Cross Sections for the Ar-H2 van der Waals Complex”, J. Chem. Phys., 82, 93-105 (1985).

 

44.       G.G. Balint-Kurti and M. Shapiro, “Quantum Theory of Molecular Photodissociation”, Advances in Chem. Phys. 60, 403-449 (1985).

 

45.       S.C. Leasure and G.G. Balint-Kurti “Valence-Bond Theory and the Evaluation of Electronic Energy Matrix Elements between Non-orthogonal Slater determinants”, Phys. Rev., A31, 2107-2113 (1985).

 

46.       M.M. Novak, G.G. Balint-Kurti and D.C. Clary, “Approximate Calculation of Vibrationally Inelastic Molecular Collision Cross Sections”, Chem. Phys. Letters, 114, 205-209 (1985).

 

47.       B.M.D.D. Jansen op de Haar, G.G. Balint-Kurti and R.E. Wyatt, “An Approximate Three-Dimensional Quantum Mechanical Calculation of Reactive Scattering Cross Sections for the H + Cl2(v) ® HCl(v ) + Cl  Reaction”.  J. Phys. Chem., 89, 4007-4016 (1985).

 

48.       R. Schinke, V. Engel, P. Andresen, D. Hausler, H.W. Lulf and G.G. Balint-Kurti, “Photodissociation of Single H2O Quantum States in the First Absorption Band: Complete Characterisation of OH Rotational and Lambda-Doublet State Distributions”.  Phys. Rev. Letters, 55, 1180-1183 (1985).

 

49.       B.M.D.D. Jansen op de Haar and G.G. Balint-Kurti, “Study of Quantum resonance Behaviour in the Cl + H2 ® HCl + H  Reaction”.  J. Phys. Chem., 89, 5655-5658 (1985).

 

50.       G.G. Balint-Kurti, “Dynamics of OH Lambda-Doublet Production through Photodissociation of Water in its first Absorption Band - Formal Theory (I)”. J. Chem. Phys., 84, 4443-4454 (1986).

 

51.       S.C. Givertz and G.G. Balint-Kurti, “Prediction of Cl(2P1/2)/Cl(2P3/2)  Branching Ratio in Photodissociation of HCl”.  J. Chem. Soc. Faraday Trans., 2, 82, 1231-1241 (1986).

 

52.       B.M.D.D. Jansen op de Haar and G.G. Balint-Kurti, “The Approximate Quantum Mechanical Calculation of Reactive Scattering Cross Sections:  The Fixed Angle Reactor Model (FARM)”.  J. Chem. Phys., 85, 2614-2623 (1986).

 

53.       T.P. Martin, G.G. Balint-Kurti and A.H. Harker, “Valence-Electron-Only Molecular Orbital Calculations of the Energies of Impurities in Metals”.  J. Phys. C., 19, 4917-4933 (1986).

 

54.       T.P. Martin, G.G. Balint-Kurti and A.H. Harker, “Valence-Electron-Only Molecular Orbital Calculations of Knight Shifts of Muons in Metals”.  J. Phys. C., 19, 4935-4951 (1986).

 

55.       I.F. Kidd and G.G. Balint-Kurti, “Infrared Predissociation of the Ar-HD van der Waals Molecule”.  Faraday Discuss. Chem. Soc., 82, 241-250 (1986).

 

56.       M.M. Novak, G.G. Balint-Kurti and D.C. Clary, “Distorted Wave Calculations of Vibrational Excitation in CO2 + He and CO2 + Ar Collisions”.  Chem. Phys., 114, 221-229 (1987).

 

57.       C.T. Wickham-Jones, G.G. Balint-Kurti and M.M. Novak, “Distorted Wave Calculations of the Vibrational Relaxation of CO in Collision with He Atoms”. Chem. Phys., 117, 1-8 (1987).

 

58.       G.G. Balint-Kurti and B.M.D.D. Jansen op de Haar, “Approximate Quantum Mechanical Calculation of Reactive Scattering Cross Sections - The Fixed Angle Reactor Model (FARM).”  Physica Scripta, T23, 146-150 (1988).

 

59.       S.R. Cohen, R. Naaman and G.G. Balint-Kurti, “Energy Distribution Between Spin-Orbit States in NO Scattered from Organized Amphiphilic Monolayers”.  Chem. Phys. Letters, 152, 269-273 (1988).

 

60.       M. Raoult and G.G. Balint-Kurti, “Application of Generalized Quantum Defect Theory to Photodissociation Processes - Predissociation of Ar-H2”.  Phys. Rev. Letters, 61, 2538 (1988).

 

61.       B.M.D.D. Jansen op de Haar and G.G. Balint-Kurti, “Fixed Angle Reactor Model Calculations for the D + H2(v =0,1) ® HD( v =0,1,2) + H  reaction”.  J. Chem. Phys., 90, 888-898 (1989)

 

62.       M.M. Novak, G.G. Balint-Kurti and D.C. Clary, “Vibrationally inelastic Collision Cross Sections of He + SO2 - Distorted Wave Approach”. J. Chem. Phys., 91, 3509-3515 (1989).

 

63.       S.R. Cohen, R. Naaman and G.G. Balint-Kurti, “Investigation of NO Scattering from Organic Monolayers - Spin-orbit State and Vibrational State Population Distributions”.  Chem. Phys., 134, 119-126 (1989).

 

64.       C.C. Marston and G.G. Balint-Kurti, “The Fourier Grid Hamiltonian Method for Bound State Eigenvalues and Eigenfunctions”, J. Chem. Phys., 91, 3571-3576 (1989).

 

65.       G.G. Balint-Kurti, “Theory of Photodissociation and Predissociation Processes in van der Waals Molecules”, in Dynamics of Polyatomic van der Waals Complexes, editors N. Halberstadt K.C. Janda (Plenum Press, NATO ASI Series B Vol. 227, 1990).

 

66.       G.G. Balint-Kurti, R.N. Dixon and C.C. Marston, “Time Dependent Quantum Dynamics of Molecular Photofragmentation Processes”, J. Chem. Soc. Faraday Transactions, 86, 1741-1749 (1990).

 

67.       G.G. Balint-Kurti, R.E. Moss, I.A. Sadler and M. Shapiro, “Calculation of Vibration-Rotation Energy Levels of HD+”, Phys. Rev., 41, 4913-4921 (1990).

 

68.       M. Raoult and G.G. Balint-Kurti, “Frame Transformation theory for Heavy Particle Scattering - Application to the Rotational Predissociation of Ar-H2”, J. Chem. Phys., 93, 6508-6519 (1990).

 

69.       R.N. Dixon, C.C. Marston and G.G. Balint-Kurti, “Photodissociation dynamics and emission spectroscopy of H2S in its first absorption band: A time dependent quantum dynamical study “, J. Chem. Phys., 93, 6520-6534 (1990).

 

70.       G.G. Balint-Kurti, R.N. Dixon, C.C. Marston and A.J. Mulholland, “The Calculation of Product Quantum state Distributions and Partial Cross Sections in time dependent Molecular Collision and Photodissociation Theory”.  Computer Physics Communications, 63, 126-134 (1991).

 

71.       C.C. Marston, G.G. Balint-Kurti and R.N. Dixon, “Time Dependent Quantum Dynamics of Reactive Scattering and the Calculation of Product Quantum State Distributions --- A Study of the Collinear F + H2 ® HF + H Reaction”.  Theoretica Chimica Acta, 79, 313-322 (1991).

 

72.       G.G. Balint-Kurti, C.L. Ward and C.C. Marston, “Two Computer Programs for Solving the Schrödinger Equation for Bound State Eigenvalues and Eigenfunctions Using the Fourier Grid Hamiltonian Method”.  Computer Physics Communications, 67, 285-292 (1991).

 

73.       A.A. Nanayakkara, G.G. Balint-Kurti and I.H. Williams, “Barrier Heights for Hydrogen Atom Transfer Reactions: Evaluation of Ab Initio MO methods for the Degenerate Exchange HO  + H2O ® H2O +  OH.”  J. Phys. Chem., 96, 3662-3669 (1992).

 

74.       P.R. Benneyworth, G.G. Balint-Kurti, M.J. Davis and I.H. Williams, “Ab Initio Valence Bond Study of the Origin of Barriers to Hydrogen Exchange Reactions: Application of the Valence Bond Self Consistent Field (VB-SCF) Method to the F + HF ® FH + F Reaction.”  J. Phys. Chem., 96, 4346-4353 (1992).

 

75.       Á. Vibók and G.G. Balint-Kurti, “Reflection and Transmission of Waves by a Complex Potential -- A Semiclassical Jeffreys-Wentzel-Kramers-Brillouin (JWKB) Treatment.”  J. Chem. Phys., 96, 7615-7620 (1992).

 

76.       Á. Vibók and G.G. Balint-Kurti, “Parameterization of Complex Absorbing Potentials for use in Time Dependent Quantum Dynamics.”, J. Phys. Chem., 96, 8712-8719 (1992).

 

77.       G.G. Balint-Kurti, R.N. Dixon and C.C. Marston “Grid Methods for Solving the Schrödinger Equation and Time Dependent Quantum Dynamics of Molecular Photofragmentation and reactive scattering Processes”, Internat. Rev. Phys. Chem., 11, 317-344 (1992).

 

78.       G.G. Balint-Kurti, S.P. Mort and C.C. Marston, “ A computer program to calculate the total energy absorption cross section for the photodissociation of a diatomic molecule arising from a bound state  ® repulsive state transition using time dependent quantum dynamical methods”, Comput. Phys. Commun., 74, 289-296 (1993).

 

79.       V. Balasubramanian, G.G. Balint-Kurti and J.H. van Lenthe, “ Computation of Inelastic Rotational Rates and Collision Cross Sections for Astrophysically Important Systems -- H2+H2O and the Water Maser”,  presented at the Faraday Symposium on Chemistry in the Interstellar Medium and published in Chem. Soc. Faraday Trans., 89, 2239-2253 (1993).

 

80.       G.G. Balint-Kurti and Á. Vibók  “Complex Absorbing Potentials in Time Dependent Quantum Dynamics.”, in Numerical Grid Methods and their Application to Schrödinger's Equation, ed. C. Cerjan, NATO ASI series, Series C: Mathematical and Physical Sciences, Vol 412, pages 195-205, Kluwer Academic Publishers, 1993.

 

81.       G.G. Balint-Kurti, F. Gögtas, S.P. Mort, A.R. Offer, A. Laganà and O. Gervasi “ Comparison of Time-Dependent and Time-Independent Quantum Reactive Scattering --  Li + HF ® LiF + H Model Calculations, J. Chem. Phys., 99, 9567-9584 (1993).

 

82.       F. Gögtas, G.G. Balint-Kurti and  C.C. Marston, “ FGHEVEN, a computer code for solving the one dimensional Schrödinger equation” Quantum Chemistry Program Exchange, Program No. 647; published in QCPE Bulletin, 14, 19 (1994).

 

83.       S.P. Mort, G.G. Balint-Kurti and N.A. Jennings, “A New Low-Lying Potential Energy Surface for SiH2+ “ , Chem. Phys. Letts., 222, 603-607 (1994).

 

84.       G.G. Balint-Kurti and M.M. Law, Editors, “Photodissociation Dynamics “ , Published by: Collaborative Computational Project on Heavy Particle Dynamics, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K., 1994.  ISBN: 0-9522736-1-6.

 

85.       A.R. Offer and G.G. Balint-Kurti, “ Prediction of Fragment Rotational Quantum State Distributions in Molecular Photodissociation Processes:  HOCl + hn  ®  OH(j) + Cl “, Chem. Phys. Letts., 228, 200-206 (1994).

 

86.       S.P. Mort, G.G. Balint-Kurti, N.A. Jennings and D.M. Hirst, “Potential Energy Surfaces for the photodissociation of SiH2+ --- Dissociation Pathways and Conical Intersections.”, J. Chem. Phys., 101, 10576 - 10601 (1994).

 

87.       A.R. Offer and G.G. Balint-Kurti, “Time--dependent quantum mechanical study of the photodissociation of HOCl and DOCl”, J. Chem. Phys., 101, 10416 - 10428 (1994).

 

88.       G.G. Balint-Kurti and P. Pulay, “ A New Grid Based Method for the Direct Computation of Excited Molecular Vibrational States: Test Application to Formaldehyde “, THEOCHEM, 341, 1-11 (1995).

 

89.       A.R. Offer and G.G. Balint-Kurti, “ Photodissociation of HOCl: A Model for the Prediction of the OH L-doublet and Cl Spin-Orbit Product State Distributions “, J. Chem. Phys., 104, 563 - 575 (1996).

 

90.       A.R. Offer and G.G. Balint-Kurti, “Photodissociation of HOCl via the 11A''  state: Model Calculations of the Spin-Orbit and L-doublet Resolved Product State Distributions”, Chem. Phys. Letters  247, 173 - 178 (1995).

 

91.       G.G. Balint-Kurti, “Discrete Variable Representation (DVR) and Grid Methods: Applications to Vibrational and Molecular Dynamics Problems”, Acta Universitatis Debreceniensis de Ludovico Kossuth Nominatae, Series Physica et Chimica, XXX/2, 55-66 (1995).

 

92.       F. Gögtas, G.G. Balint-Kurti and A.R. Offer “ Quantum Mechanical Three-Dimensional Wavepacket Study of the Li + HF  ®  LiF + H Reaction ”, J. Chem. Phys., 104, 7927 - 7939 (1996).

 

93.       A.R. Offer and G.G. Balint-Kurti, “ Resonance Raman Spectrum of HOCl - A Time-Dependent Quantum Dynamical Treatment” , J. Chem. Phys., 105, 8615 - 8627 (1996).

 

94.       F. Gögtas, A.K. Yildiz and G.G. Balint-Kurti, “The Filterization Method for the Calculation of Eigenstates”, International J. Mod. Phys. B, 11, 295 - 302 (1996).

 

95.       G.G. Balint-Kurti and G.C. Schatz, “Formulation of the Double Differential and other Cross Sections for the ClHCl– Photodetachment Process”, J. Chem. Soc. Faraday Transactions, 93, 755- 764 (1997).

 

96.       F. Gögtas, G.G. Balint-Kurti and C.C. Marston, “The Fourier Grid Hamiltonian Method Based on Even Grid Numbers”, Turkish Journal of Physics, 21, 923 - 929 (1997).

 

97.       F. Gögtas, S. Akpinar and G.G. Balint-Kurti, “A Quantum Wavepacket Study of Inelastic Atom-Diatom Scattering”, Balkan Physics Letters, 5, 42 - 48 (1997).

 

98.       S.K. Gray and G.G. Balint-Kurti, “Quantum dynamics with real wavepackets, including application to three-dimensional (J = 0) D + H2  ®  HD + H reactive scattering”, J. Chem. Phys., 108, 950 - 962 (1998).

 

99.       C. Wilson and G.G. Balint-Kurti, “A new pathway for the CH3 + OH ® CH2 + H2O reaction on a triplet surface”, J. Phys. Chem. A, 102, 1625-1632 (1998).

 

100.     Michael R. Hand, Christopher F. Rodriquez, Ian H. Williams and G.G. Balint-Kurti, “Theoretical Estimation of the Activation Energy for the Reaction HO• + H2O ® H2O + •OH: Importance of Tunnelling”, J. Phys. Chem. A, 102, 5958-5966 (1998).

 

101.     G.G. Balint-Kurti, S.K. Gray, E. Goldfield and A.I. Gonzalez “Quantum Reactive Scattering of O(1D) + H2  and O(1D) + HD” Faraday Discussions, 110, 169-183 (1998).

 

102.     A.J.H.M. Meijer, E. Goldfield, S.K. Gray and G.G. Balint-Kurti “Flux analysis for calculating reaction probabilities with real wavepackets”, Chem. Phys. Letters  293, 270 - 276 (1998).

 

103.     F. Gögtas and G.G. Balint-Kurti, “A time-dependent Quantum study of Li + HF(v=1) ® LiF(v’) + H”, Turkish Journal of Physics, 22, 9 - 20 (1998).

 

104.     K.S. Bradley, G.C. Schatz and G.G. Balint-Kurti “Wavepacket Methods for the Direct Calculation of Energy Transfer Moments in Molecular Collisions”, J. Phys. Chem. A, 103, 947-952 (1999).

 

105.     L. Füsti-Molnàr, P. Szalay and G.G. Balint-Kurti “Photodissociation of HOBr I. Ab initio Potential Energy Surfaces for the three lowest electronic states and calculation of rotational-vibrational energy levels and wavefunctions”, J. Chem. Phys., 110, 8448-8460 (1998).

 

106.     A. Pe’er, M. Shapiro and G.G. Balint-Kurti “The Breaking of the Backward-Forward Symmetry in the Angular Distribution of mj-Selected Photofragments”, J. Chem. Phys., 110, 11928-11935 (1999).

 

107.     S.K. Gray, E.M. Goldfield, G.C. Schatz and G.G. Balint-Kurti, “Helicity decoupled quantum dynamics and capture model cross sections and rate constants for O(1D) + H2® OH + H”, Chem. Phys. Phys. Chem. 1, 1141-1148 (1999).

 

108.     P. Jimeno, M.D. Gray and G.G. Balint-Kurti “Ab initio potential energy surface for the ground (2A') state of H + SiO and rotationally inelastic collision cross sections for circumstellar H + SiO collisions”, J. Chem. Phys., 111, 4966-4975, (1999).

 

109.     A. Brown, P. Jimeno and G.G. Balint-Kurti “Ab initio potential energy surfaces for the 3 lowest singlet electronic states of N2O.”, J. Phys. Chem.A, 103, 11089-11095 (1999).

 

110.     Paul M. Regan, Daniela Ascenzi, Alex Brown, Gabriel G. Balint-Kurti, and Andrew J. Orr-Ewing “Ultraviolet photodissociation of HCl in selected rovibrational states:  Experiment and theory”, J. Chem. Phys., 112, 10259-10268 (2000).

 

111.     Alex Brown and Gabriel G. Balint-Kurti “Spin-orbit branching in the photodissociation of HF and DF: I. A time-dependent wavepacket study for excitation from v = 0”, J. Chem. Phys., 113, 1870-1878 (2000).

 

112.     Alex Brown and Gabriel G. Balint-Kurti “Spin-orbit branching in the photodissociation of HF and DF: II. A time-dependent wavepacket study of vibrationally mediated photodissociation.”, J. Chem. Phys., 113, 1879-1884 (2000).

 

113.     S. K. Gray, G. G. Balint-Kurti, G. C. Schatz, J. J. Lin, X. Liu, S. Harich, and X. Yang, “Probing the effect of the H2 rotational  state in O(1D) + H2 ® OH + H : Theoretical dynamics including nonadiabatic effects and a crossed molecular beam study”, J. Chem. Phys., 113, 7330-7344 (2000).

 

114.     M. Hankel, G.G. Balint-Kurti, and S.K. Gray, “Quantum mechanical calculation of product state distributions for the O(1D)+H2 ® OH + H reaction on the ground electronic state surface”, J. Chem. Phys., 113, 9658-9667 (2000).

 

115.     V. Piermarini, A. Laganà, L. Smith, G.G. Balint-Kurti, R.J. Allan, “Parallelism and granularity in time dependent approaches to reactive scattering calculations”. Proceedings of the International Conference on Parallel and Distributed Processing Techniques and Applications, (PDPTA), 5  2879–2884, (2000)

 

116.     Gabriel G. Balint-Kurti, Làszlò. Füsti-Molnàr and Alex Brown, “Photodissociation of HOBr. II.  Calculation of photodissociation cross-sections and photofragment quantum

state distributions for the first two UV absorption bands”, Phys. Chem. Chem. Phys., 3, 702-710 (2001).

 

117.     M. Hankel, G.G. Balint-Kurti, and S.K. Gray, “Quantum mechanical calculation of reaction probabilities and branching ratios for the O(1D)+HD ® OH(OD)+D(H) reaction on the X 1A' and 11A'' adiabatic potential energy surfaces”, J. Phys. Chem. A, 105, 2330 - 2339 (2001).

 

118.     G.G. Balint-Kurti, “Time Dependent Quantum Approaches to Chemical Reactivity” in Lecture Notes in Chemistry eds. A. Laganà and A. Riganelli, Springer Verlag, 75, 74 – 87 (2000).

 

119.     G.G. Balint-Kurti, “Time Dependent Quantum Theory of Reactive Molecular Collisions” in Lecture Notes in Chemistry ed. W. Jakubetz, Springer Verlag, 77, 1-15 (2001).

 

120.     V. Piermarini, G.G. Balint-Kurti, S. K. Gray, F. Gögtas, A. Laganà and M.L. Hernández, “Wavepacket calculation of cross sections, product state distributions and branching ratios for the O(1D)+ HCl  reaction”, J. Phys. Chem.A, 105, 5743-5750 (2001).

 

121.     Gabriel G. Balint-Kurti, Làszlò. Füsti-Molnàr and Alex Brown, “Photodissociation of DOBr - Time-dependent wavepacket calculations”, Phys. Chem. Chem. Phys., 3, 3973-3980 (2001).

 

122.     V. Piermarini , A. Laganà and Gabriel G. Balint-Kurti, “State and orientation selected reactivity of O(1D) + HCl from wavepacket calculations”, Phys. Chem. Chem. Phys., 3, 4515-4521 (2001).

 

123.     Gabriel G. Balint-Kurti and Alex Brown, “Time-dependent quantum theory of photodissociation and non-adiabatic processes”, in Time-Dependent Quantum Dynamics, S.C. Althorpe, P. Soldán and G.G. Balint-Kurti, Editors, , Published by: Collaborative Computational Project on Heavy Particle Dynamics, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K.,pages: 83 - 88 (2001).  ISBN: 0-9522736-7-5.

 

124.     S.C. Althorpe, P. Soldán and G.G. Balint-Kurti, Editors, “Time-Dependent Quantum Dynamics “ , Published by: Collaborative Computational Project on Heavy Particle Dynamics, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K., 2001.  ISBN: 0-9522736-7-5.

 

125.     Alexander P. Palov, Pedro Jimeno, Malcolm D. Gray, David Field and G.G. Balint-Kurti, “Vibrationally-rotationally inelastic cross sections for H + SiO collisions”, J. Chem. Phys., 116, 1388-1396 (2002).

 

126.     G.G. Balint-Kurti, A.J. Orr-Ewing, J.A. Beswick, Alex Brown and O.S. Vasyutinskii, “Vector correlations and alignment parameters in the photodissociation of HF and DF”, J. Chem. Phys., 116, 10760-10771 (2002).

 

127.     M. Hankel, G.G. Balint-Kurti, and S.K. Gray, “Sinc wavepackets: A new form of wavepacket for time-dependent quantum mechanical reactive scattering calculations”, Int. J. Quant. Chem., 92, 205-211 (2003).

 

128.     P. A. Cook, P. Jimeno, M.N.R. Ashfold, G.G. Balint-Kurti and R.N. Dixon, “An ab initio study of the photodissociation of HN3 molecules following excitation in the  absorption system.”, Phys. Chem. Chem. Phys., 4, 1513-1521 (2002).

 

129.     G.G. Balint-Kurti, “Quantum Theory of Molecular Reactions and Photodissociation” published in “Current Developments in Atomic, Molecular and Chemical Physics”, Ed. Man Mohan, Kluwer Academic/Plenum Publishers, New York, 79-84 (2002).

 

130.     Irene Miquel, Miguel González, R. Sayós, Gabriel G. Balint-Kurti, Stephen K. Gray and Evelyn M. Goldfield, “Quantum reactive scattering calculations of cross sections and rate constants for the N(2D) + O2 () ® O(3P) + NO(X2P) reaction”, J. Chem. Phys., 118, 3111-3123 (2003).

 

131.     Jernej Stare and  Gabriel G. Balint-Kurti, “The Fourier Grid Hamiltonian Method for solving the vibrational Schrödinger equation in internal coordinates: theory and test applications”, J. Phys., Chem. A, 107, 7204-7214 (2003).

 

132.     T.P. Rakitzis, P.C. Samartzis, R.L. Toomes, T.N. Kitsopoulos, A. Brown, G.G. Balint-Kurti, O.S. Vasyutinskii, J.A. Beswick, “Spin Polarized Hydrogen Atoms from Molecular Photodissociation”, Science 300, 1936-1938 (2003).

 

133.     J.P. Cole and G.G. Balint-Kurti, “A statistical, ab initio, quantum mechanical study of the photolysis and final state distributions of singlet ketene.”, J. Chem. Phys., 119, 6003-6016 (2003).

 

134.     E. J. Feltham, R. H. Qadiri, E.E.H. Cottrill, P.A. Cook, J.P. Cole, G.G. Balint-Kurti and M.N.R. Ashfold, “Ketene photodissociation in the wavelength range 193-215 nm: The H atom production channel.”, J. Chem. Phys., 119, 6017-6031 (2003).

 

135.     G.G. Balint-Kurti, “Wavepacket Theory of Photodissociation and Reactive Scattering”,Adv. Chem. Phys. 128, 249-302 (2003).

 

136.     G.G. Balint-Kurti and Alex Brown, “Time-Dependent wavepacket calculations for reactive scattering and photodissociation”, in "Theory of Chemical Reaction Dynamics"; Proceedings of the Nato Advanced Research Workshop on the theory of Dynamics of Elementary Chemical Reactions, eds. A. Lagana and G. Lendvay,  Kwuler Academic Publishers, p149-185 (2004) (ISBN: 1-4020-2055-4)

 

137.     K.Ahmed, G.G Balint-Kurti and C. M .Western, “Spectroscopic Determination of Ground and Excited State Potential Energy Surfaces.” in High Accuracy Potentials for Quantum Dynamics, A. Miani,  J. Tennyson and T. van Mourik , Editors,, Published by: Collaborative Computational Project on Heavy Particle Dynamics, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K.,pages: 48-53 (2003).  ISBN: 0-9545289-0-5

 

138.     Alex Brown, G.G. Balint-Kurti and O.S. Vasyutinskii, “Photodissociation of HCl and DCl: Polarization of atomic photofragments”, J. Phys., Chem., 108, 7790-7800 (2004).

 

139.     Khalil Ahmed, Gabriel G Balint-Kurti and Colin M. Western, “Ab Initio calculations and vibrational energy level fits for the lower singlet potential energy surfaces of C3”,J. Chem. Phys., 121, 10041-10051 (2004).

 

140.     Mohammad Noh Daud, Gabriel G. Balint-Kurti and Alex Brown, “Ab initio potential energy surfaces, total absorption cross sections and product quantum state distributions for the low-lying electronic states of N2O”, J. Chem. Phys., 122, 054305 (2005)

 

141.     Gabriel G. Balint-Kurti, Frederick R. Manby, Qinghua Ren, Maxim Artamonov, Tak-San Ho and Herschel Rabitz, “Quantum Control of Molecular Motion Including Electronic Polarization Effects with a Two Stage Toolkit”, J. Chem. Phys., 122, 084110 (2005).

 

142.     Ezinvi Baloïtcha and Gabriel G. Balint-Kurti, “Theory of the Photodissociation of Ozone in the Hartley continuum; potential energy surfaces, conical intersections and photodissociation dynamics.”, J. Chem. Phys., 123, 014306 (2005).

 

143.     Gabriel G. Balint-Kurti, “Wavepacket Dynamics of Reactive Scattering and Photodissociation, .” in Semiclassical and Other  Methods for Understanding Molecular Collisions and Chemical Reactions, S. Sen, D. Sokolovski and J.N.L. Connor, Editors, Published by: Collaborative Computational Project on Heavy Particle Dynamics, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K.,pages: 50-57 (2005).  ISBN: 0-9545289-3-X.

 

144.     Balint-Kurti1 G., Bogdanov A., Gevorkyan A., Gorbachev Yu., Hakobyan T., Nyman G., Shoshmina I., Stankova E., “Grid-Technology for Chemical Reactions Calculation.” V.S. Sunderam et al. (Eds.): ICCS 2005: 5th International Conference, Atlanta, GA, USA, May 22-25, 2005, Proceedings, Part III. LNCS, 2005, Lecture Notes in Computer Science 3516, pp. 933 – 936. Springer-Verlag Berlin Heidelberg (2005). ISBN: 3-540-26044-7.

 

145.     Ezinvi Baloïtcha and Gabriel G. Balint-Kurti, “Theory of the Photodissociation of Ozone in the Hartley continuum; effect of vibrational excitation and O(1D) atom velocity distribution.”, Phys. Chem. Chem. Phys., 7, 3829-3833 (2005).

 

146.     G.G. Balint-Kurti, Alex Brown and O.S. Vasyutinskii, “Determination of the amplitudes and phases of the photofragmentation T matrix elements from experimental measurements”, Physica Scripta,73, 1-7 (2006).

 

147.     Qinghua Ren, Gabriel G. Balint-Kurti, and Frederick R. Manby Maxim Artamonov, Tak-San Ho, and Herschel Rabitz, “Quantum control of molecular vibrational and rotational excitation in a homonuclear diatomic molecule: a full three-dimensional treatment with polarization forces”, J. Chem. Phys., 124, 014111-1 -014111-8, (2006).

 

148.     Andrey G. Smolin, Oleg S. Vasyutinskii, Gabriel G. Balint-Kurti and Alex Brown, “Photodissociation of HBr: 1. Electronic structure, photodissociation dynamics and vector correlation coeffcients”, J. Phys. Chem. A, 110, 5371-5378 (2006).

 

149.     Andrey G. Smolin, Oleg S. Vasyutinskii, Olivier P. J. Vieuxmaire, Michael N. R. Ashfold, Gabriel G. Balint-Kurti, and Andrew J. Orr-Ewing, “Velocity Map Imaging Study of BrCl Photodissociation at 467 nm: Determination of All Odd Rank (K = 1 and 3) Anisotropy Parameters for the Cl( 2P03/2) Photofragments”, J. Chem. Phys., 124, 094305-1 -- 094305-11 (2006).

 

150.     Gabriel G. Balint-Kurti and Marcelo P. de Miranda, editors, “Vector Correlation and Alignment in Chemistry”, Published by: Collaborative Computational Project on Heavy Particle Dynamics, Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K., (2006).  ISBN: 0-9545289-2-1

 

151.     Alexander P. Palov, Malcolm D. Gray, David Field and Gabriel G. Balint-Kurti, “Modelling of the SiO Circumstellar Maser; Rate Coefficients for the Vibrationally-Rotationally Inelastic Scattering of H + SiO”, Astrophys. J., 639, 204-209 (2006).

 

152.     Shiyang Zou, Qinghua Ren, Gabriel G. Balint-Kurti, and Frederick R. Manby, “Analytical control of molecular excitations including strong field polarization effects”, Phys. Rev. Letts., 96, 243003-1 -- 243003-4 (2006).

153.     Qinghua Ren, Gabriel G. Balint-Kurti, and Frederick R. Manby Maxim Artamonov, Tak-San Ho, and Herschel Rabitz, “Design of Infrared laser pulses for the deexcitation of highly excited homonuclear diatomic molecules”, J. Chem. Phys., 125, 021104-1 -- 021104-2 (2006).

 

154.     Gabriel G. Balint-Kurti, Frederick R. Manby, Qinghua Ren, Shiyang Zou Maxim Artamonov, Tak-San Ho, and Herschel Rabitz , “Ab initio design of laser pulses for controlling molecular motion”, in “Coherent Control of Molecules”, Benjamin Lasorne and Graham Worth, Editors, , Published by: Collaborative Computational Project on Molecular Quantum Dynamics (CCP6), Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K.,pages: 1-6 (2006).  ISBN: 0-9545289-5-6.

 

155.     Marlies Hankel, Sean C. Smith, Robert J. Allan, Stephen K. Gray and Gabriel G. Balint-Kurti “State-to-state reactive differential cross sections for the H+H2 ® H2+H reaction on five different potential energy surfaces employing a new quantum wavepacket computer code: DIFFREALWAVE”, J. Chem. Phys., 125, 164303-1 -- 164303-12 (2006).

 

156.     Thomas Herrmann, Qinghua Ren, Gabriel G. Balint-Kurti and Frederick R. Manby, “Ab initio design of picosecond infrared laser pulses for controlling vibrational-rotational excitation of CO molecules”, J. Chem. Phys., 126, 224309-1 -- 224309-13 (2007).

 

157.     Tian-Shu Chu, Ke-Li Han, Marlies Hankel and Gabriel G. Balint-Kurti, “Coriolis coupling effects in the calculation of state-to-state integral and differential cross sections for the H+D2 reaction”, J. Chem. Phys., 126, 214303-1 – 214303-9 (2007).

 

158.     Shiyang Zou, Gabriel G Balint-Kurti and Frederick R. Manby, “Vibrationally selective optimal control of alignment and orientation using infrared laser pulses: Application to carbon monoxide”, J. Chem. Phys., 127, 044107-1 -- 044107-11 (2007)

 

159.     Gabriel G. Balint-Kurti and Ezinvi Baloïtcha, “Reply to “Comment on ‘Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics’ ” [J. Chem. Phys. 123, 014306, 2005]”, J. Chem. Phys., 126, 247102  (2007).

 

160.     Alex Brown, Gabriel G. Balint-Kurti and Oleg S. Vasyutinskii, “PHOTODISSOCIATION DYNAMICS: POLARIZATION OF ATOMIC FRAGMENTS” in “Atoms and Molecules in Laser and External Fields”, Ed. Man Mohan, Narosa Publishing House, New Dehli, pages 51-58, (2008). ISBN: 978-81-7319-810-6

 

161.     G.G. Balint-Kurti, Shiyang Zou  and Alex Brown, “Optimal Control Theory for Manipulating Molecular Processes”, Adv. Chem. Phys. 138, 43-94 (2008).

 

 

162.     Gabriel G. Balint-Kurti and Ezinvi Baloïtcha, “Erratum: “Theory of the photodissociation of ozone in the Hartley continuum: Potential energy surfaces, conical intersections, and photodissociation dynamics” [J. Chem. Phys. 123, 014306 (2005)]”, J. Chem. Phys., 128, 089901 (2008).

 

 

163.     Huan Yang, Ke-Li Han, Shinkoh Nanbu, Hiroki Nakamura, Gabriel G. Balint-Kurti, Hong Zhang, Sean C. Smith, and Marlies Hankel, “Quantum dynamical study of the O(1D)+HCl reaction employing three electronic state potential energy surfaces”, J. Chem. Phys., 128, 014308-1 -- 014308-5,  (2008).

 

164.     Marlies Hankel, Sean C. Smith, Stephen K. Gray and Gabriel G. Balint-Kurti “DIFFREALWAVE: A parallel real wavepacket code for the quantum mechanical calculation of reactive state-to-state differential cross sections in atom plus diatom collisions”, Comput. Phys. Commmun., 179, 569-578 (2008).

 

165.     G.G. Balint-Kurti, “Time-dependent and time-independent wavepacket approaches to reactive scattering and photodissociation dynamics”, Internat. Rev. Phys. Chem., 27, 507-539 (2008).

 

166.     Huan Yang, Ke-Li Han, Shinkoh Nanbu, Hiroki Nakamura, Gabriel G. Balint-Kurti, Hong Zhang, Sean C. Smith, and Marlies Hankel, “Quantum Mechanical Calculation of Energy Dependence of OCl/OH Product Branching Ratio and Product Quantum State Distributions for the O(1D)+HCl Reaction on All Three Contributing Electronic State Potential Energy Surfaces”, J. Phys. Chem. A, 112, 7947-7960  (2008).

 

167.     Henk Eshuis, Gabriel G. Balint-Kurti and Frederick R. Manby, “Dynamics of molecules in strong oscillating electric fields using time-dependent Hartree–Fock theory”, J. Chem. Phys., 128, 114113-(1- 6) (2008).

 

168.     Shiyang Zou, Cristina Sanz, and Gabriel G. Balint-Kurti, “Coherent control of molecular alignment of homonuclear diatomic molecules by analytically designed laser pulses”, J. Chem. Phys., 129, 124307-(1- 7) (2008).

 

169.     Harjinder Singh, Sitansh Sharma, Praveen Kumar, Jeremy N. Harvey and Gabriel G. Balint-Kurti “Design of Optimal Laser Fields to Control Vibrational Excitations in Carboxy-myoglobin”, Lecture Notes in Computer Science, 5102,387-395 (2008).

 

170.     Sitansh Sharma, Purshotam Sharma, Harjinder Singh and Gabriel G. Balint-Kurti “Design of laser pulses for selective vibrational excitation of the N6-H bond of adenine and adenine-thymine base pair using optimal control theory”, J Mol. Modelling, 15, 623-631 (2009).

 

171.     Tian-Shu Chu, Ke-Li Han, Marlies Hankel, Gabriel G. Balint-Kurti, Aron Kuppermann and Ravinder Abrol,  “Nonadiabatic effects in the H+H2 exchange reaction: Accurate quantum dynamics calculations at a state-to-state level”, J. Chem. Phys., 130, 144301-(1-9) (2009).

 

172.     Gabriel G. Balint-Kurti and Oleg S. Vasyutinskii, “Vector correlation analysis for inelastic and reactive collisions between partners possessing spin and orbital angular momentum.”, J. Phys. Chem. A, 113, 14281-14290  (2009).

 

173.     Qinghua Ren and Gabriel G. Balint-Kurti, “Design of Infrared Laser Pulses for the Vibrational De-excitation of Translationally Cold Li2 Molecules”, J. Phys. Chem. A, 113, 14255-14260  (2009).

 

174.     Huan Yang, Ke-Li Han, Shinkoh Nanbu, Hiroki Nakamura, Gabriel G. Balint-Kurti, Hong Zhang, Sean C. Smith, and Marlies Hankel, “Initial rotational quantum state excitation and isotopic effects for the O(1D)+HCl à OH+Cl( (OCl+H) reaction”, J. Theoret.  Comput. Chem., 8, 1003 (2009).

 

175.     P. G. Jambrina, F. J. Aoiz, N. Bulut, Sean C. Smith, G. G. Balint-Kurti and M. Hankel,  “The dynamics of the H++D2 reaction: A comparison of quantum mechanical wavepacket, quasi-classical and statistical-quasi-classical results”,  PCCP, 12, 1102 (2010).

 

176.     Harjinder Singh and Sitansh Sharma and Gabriel G. Balint-Kurti, “Genetic algorithm optimization of laser pulses for molecular quantum state excitation”, J. Chem. Phys., 132, 064108 (2010).

 

177.     Qinghua Ren, Kara E. Ranaghan, Adrian J. Mulholland, Jeremy N. Harvey, Frederick R. Manby and Gabriel G. Balint-Kurti, “Optimal control design of Laser Pulses for mode Specific vibrational Excitation in an enzyme-substrate complex”, Chem. Phys. Letts. 491, 230-236 (2010).

 

178.     G.G. Balint-Kurti, “Wavepacket quantum dynamics”, Theoretical Chemistry Accounts, 127, 1-17 (2010).

 

179.     Sitansh Sharma, Harjinder Singh, Jeremy N. Harvey and Gabriel G. Balint-Kurti, “

Design of an infrared laser pulse to control the multiphoton dissociation of the Fe-CO bond in CO-heme compounds”, J. Chem. Phys., 133, 174103 (2010).