(Q59455180)

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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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scholarly article

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

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object named as

Juha Vaara

1

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Trygve Ulf Helgaker

object named as

Trygve Helgaker

4

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object named as

Kenneth Ruud

3

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author name string

Juhani Lounila

2

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language of work or name

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publication date

15 November 1998

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Journal of Chemical Physics

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109

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19

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8388-8397

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1 reference

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Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

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Gaussian basis sets for use in correlated molecular calculations. VI. Sextuple zeta correlation consistent basis sets for boron through neon

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Molecular Hessians for large‐scale MCSCF wave functions

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First principles computation of thermochemical properties beyond the harmonic approximation. I. Method and application to the water molecule and its isotopomers

1 reference

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NMR Properties of Formamide: A First Principles and Experimental Study

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Magnetizability and nuclear shielding constants of solvated water

1 reference

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A comparison of the experimental and ab initio values of the 17O NMR chemical shifts in the carbonyl group

1 reference

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Identifiers

10.1063/1.477501

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