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ACES (computational chemistry)

Known as: Ace (disambiguation), CFOUR 
Aces II (Advanced Concepts in Electronic Structure Theory) is an ab initio computational chemistry package for performing high-level quantum chemical… Expand
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Papers overview

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2019
2019
We present a set of fault injection experiments performed on the ACES (LANL/SNL) Cray XE supercomputer Cielo. We use this… Expand
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2015
2015
We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene… Expand
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2015
2015
Abstract. We describe a two-channel broadband cavity enhanced absorption spectrometer (BBCEAS) for aircraft measurements of… Expand
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2012
2012
The Atomic Clocks Ensemble in Space (ACES/PHARAO mission), which will be installed on board the International Space Station (ISS… Expand
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2011
2011
We use a nested version of the GEOS-Chem global 3-D chemistry transport model to better understand the composition and variation… Expand
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2011
2011
Abstract. Concentrations of oxygen (O2) and other dissolved gases in the oceanic mixed layer are often used to calculate air-sea… Expand
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2011
2011
Atomic Clock Ensemble in Space (ACES) is a mission using high-performance clocks and links to test fundamental laws of physics in… Expand
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2008
2008
  • 2008
  • Corpus ID: 46993562
E. coli is the host strain of choice for the production of recombinant proteins. Despite its long and successful history, several… Expand
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2007
2007
We describe a model for estimating the count rate, geometric factor, and gathering power for a particle telescope in an… Expand
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