(Q58228827)

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Comparative study of the molecular electrostatic potential obtained from different wavefunctions. Reliability of the semiempirical MNDO wavefunction

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title

Comparative study of the molecular electrostatic potential obtained from different wavefunctions. Reliability of the semiempirical MNDO wavefunction (English)

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main subject

general chemistry

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computational mathematics

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F. Illas

2

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author name string

F. J. Luque

series ordinal

1

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M. Orozco

series ordinal

3

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publication date

May 1990

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published in

Journal of Computational Chemistry

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volume

11

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issue

4

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page(s)

416-430

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DOI

10.1002/JCC.540110403

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(Q58228827)

Comparative study of the molecular electrostatic potential obtained from different wavefunctions. Reliability of the semiempirical MNDO wavefunction

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