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The top documents tagged [isolated molecule]
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Ab initio and Classical Molecular Dynamics Simulations of Supercritical Carbon Dioxide Moumita Saharay and S. Balasubramanian Jawaharlal Nehru Center for
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2. Modeling of small systems Building the model What is the optimal conformation of a molecule? What is the relative energy of a given conformation? What
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METO 621 Lesson 5. Natural broadening The line width (full width at half maximum) of the Lorentz profile is the damping parameter, . For an isolated
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1 Ideal diatomic gas: internal degrees of freedom Polyatomic species can store energy in a variety of ways: –translational motion –rotational motion –vibrational
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Chapter 3 STRUCTURE AND PROPERTIES OF MOLECULES
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SMALL Kick-off meeting , Madrid| Jan 2011
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