(Q59613870)

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An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules

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An efficient approach for calculating vibrational wave functions and zero-point vibrational corrections to molecular properties of polyatomic molecules (English)

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Per-Olof Åstrand

object named as

Per-Olof Åstrand

2

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Kenneth Ruud

1

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author name string

Peter R. Taylor

3

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language of work or name

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publication date

8 February 2000

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Journal of Chemical Physics

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112

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6

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2668-2683

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Rovibrational effects, temperature dependence, and isotope effects on the nuclear shielding tensors of water: A new 17O absolute shielding scale

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21 January 2018

Ab Initio Methods for the Calculation of NMR Shielding and Indirect Spin−Spin Coupling Constants

1 reference

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Isotope and temperature effects on the 13C and 77Se nuclear shielding in carbon diselenide

1 reference

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Vibrationally averaged magnetizabilities and rotational g tensors of the water molecule

1 reference

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Rovibrationally averaged nuclear shielding constants in OCS

1 reference

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Dipole polarizability surfaces of ammonia

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Vibrational averaging of electrical properties

1 reference

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An ab initio study of vibrational corrections to the electrical properties of the second-row hydrides

1 reference

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Calculation of the vibrational wave function of polyatomic molecules

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https://api.crossref.org/works/10.1063%2F1.480841

21 January 2018

Some Studies Concerning Rotating Axes and Polyatomic Molecules

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21 January 2018

Magnetizabilities and Nuclear Shielding Constants of the Fluoromethanes in the Gas Phase and Solution

1 reference

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21 January 2018

Electric and magnetic properties of the nitroethene molecule

1 reference

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21 January 2018

The effect of correlation on molecular magnetizabilities and rotational g tensors

1 reference

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21 January 2018

Perturbation‐dependent atomic orbitals for the calculation of spin‐rotation constants and rotational g tensors

1 reference

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Hartree–Fock limit magnetizabilities from London orbitals

1 reference

https://api.crossref.org/works/10.1063%2F1.480841

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Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals

1 reference

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21 January 2018

On the use of a Hessian model function in molecular geometry optimizations

1 reference

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21 January 2018

The magnetizability, rotational g tensor, and quadrupole moment of PF3 revisited

1 reference

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21 January 2018

PNO-CI and PNO-CEPA studies of electron correlation effects

1 reference

https://api.crossref.org/works/10.1063%2F1.480841

21 January 2018

Magnetizability of Hydrocarbons

1 reference

https://api.crossref.org/works/10.1063%2F1.480841

21 January 2018

On the Magnetic Susceptibility of Fluorine

1 reference

https://api.crossref.org/works/10.1063%2F1.480841

21 January 2018

On the Refraction and Dispersion of the Halogens, Halogen Acids, Ozone, Steam, Oxides of Nitrogen and Ammonia

1 reference

https://api.crossref.org/works/10.1063%2F1.480841

21 January 2018

Identifiers

10.1063/1.480841

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