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单词 ab initio
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Examplesofab initio

ab initio
In addition to total energy, forces and stresses are also calculated so that geometry optimizations andabinitiomolecular dynamics may be carried out.
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The legal position was that any contract entered into beyond the power, or "ultra vires", would be deemed void "abinitio".
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If a marriage is void "abinitio", then it is automatically null, although a declaration of nullity is required to establish this.
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It is now clear that, in these cases, the discharge operates only prospectively, that is, it is not equivalent to rescissionabinitio.
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If the court declares the last in a series of wills to be invalid "abinitio", the deceased is deemed to have died intestate.
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By 1971, when a bibliography of "abinitio" calculations was published, the largest molecules included were naphthalene and azulene.
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Modeling the solvent as a polarizable continuum, rather than individual molecules, makes "abinitio" computation feasible.
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All required reactions are analyzed using standardabinitioquantum chemistry methods.
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Standardabinitioquantum chemistry methods lead to delocalized orbitals that, in general, extend over an entire molecule and have the symmetry of the molecule.
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Calculations to second, third or fourth order are very common and the code is included in mostabinitioquantum chemistry programs.
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These examples are from corpora and from sources on the web. Any opinions in the examples do not represent the opinion of the Cambridge Dictionary editors or of Cambridge University Press or its licensors.
#https://dictionary.cambridge.org//dictionary/english/ab-initio##
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更新时间:2025/8/18 1:44:27