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Computational chemistry / Science / Quantum mechanics / Theoretical chemistry / Davidson correction / ACES / Born–Oppenheimer approximation / Ab Initio / Perturbation theory / Chemistry / Physics / Quantum chemistry


The determination of an accurate isotope dependent potential energy surface for water from extensive ab initio calculations and experimental data Harry Partridge and David W. Schwenke NASA Ames Research Center, Moffett F
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Document Date: 2014-06-16 15:21:21


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IBM / /

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Sweden / /

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pence / USD / /

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American Institute of Physics Downloaded / NASA Ames Research Center / American Institute of Physics / /

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computing / energy range / dependent potential energy surface / energy / /

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National Aeronautics and Space Administration / David W. Schwenke NASA Ames Research Center / PES V / American Institute / U.S. Securities and Exchange Commission / /

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Harry Partridge / David W. Schwenke / Eq / /

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J / E / V / /

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California / /

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