Home Physical Theoretical • Advances in Chemical Physics, Volume 149 by Stuart A. Rice, Aaron R. Dinner

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 offers the chemical physics box with a discussion board for serious, authoritative reviews of advances in each region of the self-discipline. choked with state-of-the-art study said in a cohesive demeanour no longer chanced on in other places within the literature, each one quantity of the Advances in Chemical Physics sequence serves because the excellent complement to any complicated graduate type dedicated to the examine of chemical physics.

This quantity explores:

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

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

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

  • Polymers below 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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Rice and P. Gaspard, Israel. J. , 30, 23 (1990). 76. M. Gruebele, Adv. Chem. , 114, 193 (2000). 77. J. Jortner and R. D. Levine, Israel J. , 30, 207 (1990). 78. 79. 80. 81. 82. K. K. Lenmann, G. Scoles, and B. H. Pate, Annu. Rev. Phys. , 45, 241 (1994). D. J. Nesbitt and R. W. Field, J. Phys. , 100, 12735 (1996). W. Shiu, J. J. Lin, and K. Liu, Phys. Rev. , 92, 103201 (2004). W. Shiu, J. J. Lin, K. Liu, M. Wu, and D. H. Parker, J. Chem. , 120, 117 (2004). G. Nyman and J. Espinosa-Garcia, J. Phys.

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.

T. Chu, K. Han, and J. Espinosa-Garcia, J. Chem. , 131, 244303 (2009). 85. W. T. Duncan and T. N. Truong, J. Chem. , 103, 9642 (1995). 86. J. C. Corchado, D. G. Truhlar, and J. Espinosa-Garcia, J. Chem. , 112, 9375 (2000). 87. C. Rangel, M. Navarrete, J. C. Corchado, and J. Espinosa-Garcia, J. Chem. , 124, 124306 (2006). 88. M. Yang, C. Yang, J. Chen, and Q. Zhang, Chem. , 354, 180 (2008). 89. J. Zhou, B. Zhang, J. J. Lin, and K. Liu, Mol. , 103, 1757 (2005). 90. 91. 92. 93. 94. 95. 96. M. Nun-Ben, M.

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