(Q60495069)

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Parity-violating interaction in H2O2 calculated from density-functional theory

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Parity-violating interaction in H2O2 calculated from density-functional theory (English)

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2

Trygve Helgaker

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Wim Klopper

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Wim Klopper

series ordinal

3

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author name string

Alf C. Hennum

series ordinal

1

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publication date

March 2002

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published in

Chemical Physics Letters

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volume

354

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issue

3-4

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page(s)

274-282

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Question of Parity Conservation in Weak Interactions

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7 January 2021

NMR and parity nonconservation. Experimental requirements to observe a difference between enantiomer signals.

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7 January 2021

On the calculation of parity-violating energies in hydrogen peroxide and hydrogen disulphide molecules within the random-phase approximation

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7 January 2021

Influence of parity violating weak nuclear potentials on vibrational and rotational frequencies in chiral molecules

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7 January 2021

Electroweak quantum chemistry of alanine: parity violation in gas and condensed phases

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7 January 2021

Theoretical analysis of parity-violating energy differences between the enantiomers of chiral molecules

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7 January 2021

Fully Relativistic Coupled Cluster Treatment for Parity-Violating Energy Differences in Molecules

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7 January 2021

D- or L-alanine: that is the question

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7 January 2021

Nuclear shielding constants by density functional theory with gauge including atomic orbitals

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7 January 2021

Analytical calculation of nuclear magnetic resonance indirect spin–spin coupling constants at the generalized gradient approximation and hybrid levels of density-functional theory

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7 January 2021

Note on Exchange Phenomena in the Thomas Atom

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7 January 2021

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

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7 January 2021

Density-functional exchange-energy approximation with correct asymptotic behavior

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7 January 2021

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

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7 January 2021

Density-functional thermochemistry. III. The role of exact exchange

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7 January 2021

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

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7 January 2021

Spin–orbit coupling constants in a multiconfiguration linear response approach

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7 January 2021

One- and two-electron integrals over cartesian gaussian functions

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7 January 2021

Direct perturbation theory of magnetic properties and relativistic corrections for the point nuclear and Gaussian nuclear models

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7 January 2021

Identifiers

DOI

10.1016/S0009-2614(02)00111-2

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(Q60495069)

Parity-violating interaction in H2O2 calculated from density-functional theory

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