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Vibrational frequency

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2 results in Keywords: Vibrational frequency

Earth, Space, and Environmental Chemistry

Using Cost-Effective Density Functional Theory (DFT) to Calculate Equilibrium Isotopic Fractionation for Reactions Involving Large Organic Molecules

Mark Iron, Jonathan Gropp

Version 1 posted 03 May 2019

1,165

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Vibrational frequencies utilized for the assessment of exchange-correlation functionals in the description of metal-adsorbate systems: C2H2 and C2H4 on transition-metal surfaces

Ray Miyazaki, Somayeh Faraji, Sergey V. Levchenko, Lucas Foppa, Matthias Scheffler

Version 3 posted 07 October 2024

238

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