Advances in Chemical Physics, Volume 149 by Stuart A. Rice, Aaron R. Dinner

By Stuart A. Rice, Aaron R. Dinner

The Advances in Chemical Physics series?the innovative of analysis in chemical physics

The Advances in Chemical Physics sequence presents the chemical physics box with a discussion board for severe, authoritative reviews of advances in each quarter of the self-discipline. jam-packed with state of the art examine stated in a cohesive demeanour no longer discovered in different places within the literature, each one quantity of the Advances in Chemical Physics sequence serves because the excellent complement to any complicated graduate classification dedicated to the examine of chemical physics.

This quantity explores:

  • Quantum Dynamical Resonances in Chemical Reactions: From A + BC to Polyatomic structures (Kopin Liu)

  • The Multiscale Coarse-Graining approach (Lanyuan Lu and Gregory A. Voth)

  • Molecular Solvation Dynamics from Inelastic X-ray Scattering Measurements (R.H. Coridan and G.C.L. Wong)

  • Polymers lower than Confinement (M. Muthukumar)

  • Computational stories of the houses of DNA-linked Nanomaterials (One-Sun Lee and George C. Schatz)

  • Nanopores: Single-Molecule Sensors of Nucleic Acid established Complexes (Amit Meller)

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Zare, and E. Wrede, Nature, 416, 67 (2002). 15. S. A. Harich, D. Dai, C. C. Wang, X. Yang. S. D. Chao, and R. T. Skodje, Nature, 419, 281 (2002). 16. D. E. Manolopoulos, Nature, 419, 266 (2002). 17. R. A. Marcus, J. Chem. , 45, 4493 (1966). 18. R. A. Marcus, J. Chem. , 45, 4500 (1966). 19. I. W. M. Smith, Acc. Chem. , 23, 101 (1990). 20. A. Schramm, I. I. Fabrikant, J. M. Weber, E. -W. Ruf, and H. Hotop, J. Phys. B At. Mol. Opt. , 32, 2153 (1999). 21. R. D. Levine, Molecular Reaction Dynamics, Cambridge Univ.

Xu, and D. H. Zhang, Proc. Nat’l Acad. Sci. USA, 105, 12662 (2008). THE MULTISCALE COARSE-GRAINING METHOD LANYUAN LU AND GREGORY A. VOTH Department of Chemistry, James Franck and Computation Institutes, University of Chicago, 5735 S. Ellis Avenue, Chicago, IL 60637, USA CONTENTS I. II. Introduction Methodology A. Definition of a Consistent CG Model B. Calculation of a CG Force Field C. Basis Functions D. Numerical Algorithms E. Transferring CG Potentials Between Temperatures F. MS-CG for an Isothermal-Isobaric Ensemble G.

116, 7839 (2002). 63. 64. 65. 66. 67. 68. -H. Lee, F. Dong, and K. Liu, J. Chem. , 125, 133106 (2006). K. Liu, Nuclear Phys. A, 684, 247C (2001). W. Dong, C. Xiao, T. Wang, D. Dai, X. Yang, and D. H. Zhang, Science, 327, 1501 (2010). K. Someda, H. Nakamura, and F. H. Mies, Chem. , 187, 195 (1994). M. Desouter-Lecomte and X. Chapuisat, Phys. Chem. Chem. , 1, 2635 (1999). U. Peskin, H. Reisler, and W. H. Miller, J. Chem. , 101, 9672 (1994). 69. 70. 71. 72. 73. 74. 75. U. Peskin, H. Reisler, and W.

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