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Challenges in Theoretical Chemistry


Theoretical Possibilities
Julia Fahrenkamp-Uppenbrink, Phil Szuromi, Jake Yeston, and Robert Coontz
Science 8 August 2008: 783.

News

Problem Solved* (*sort of)
Robert F. Service
Science 8 August 2008: 784-786.
Researchers have toiled for decades to understand how floppy chains of amino acids fold into functional proteins. Learning many of those rules has brought them to the verge of being able to make predictions about proteins they haven't even discovered.


Perspectives

Intermolecular Potentials
Anthony J. Stone
Science 8 August 2008: 787-789.

Quantum Dynamics of Chemical Reactions
David C. Clary
Science 8 August 2008: 789-791.

Insights into Current Limitations of Density Functional Theory
Aron J. Cohen, Paula Mori-S¡§¢nchez, and Weitao Yang
Science 8 August 2008: 792-794.

Frontiers in Surface Scattering Simulations
Geert-Jan Kroes
Science 8 August 2008: 794-797.

Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems
Michael L. Klein and Wataru Shinoda
Science 8 August 2008: 798-800.

Challenges in Modeling Materials Properties Without Experimental Input
Emily A. Carter
Science 8 August 2008: 800-803.
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2Â¥2008-08-14 14:34:14
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Challenges in Theoretical Chemistry.pdf

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