Diatomic Comparison

Diatomic Comparison is a methodological framework in computational chemistry that, as a subclass of molecular analysis techniques, specifically enables the systematic evaluation and contrast of structural, energetic, or spectroscopic properties between polyatomic molecules and their constituent diatomic fragments to elucidate bonding patterns and electronic interactions.

6

Publications

403

Citations

14

Authors

6

Institutions

Publications per year

2017–2026

0

Authors

14

  1. JD
    James D. Petke

    University of Kansas, United States

    1 publications · 36 citations

    1

    h-index

  2. RS
    Robert S. Mulliken

    University of Chicago, United States

    1 publications · 105 citations

    1

    h-index

  3. KR
    Krishnan Raghavachari

    Indiana University Bloomington, United States

    1 publications · 91 citations

    1

    h-index

  4. AA
    Arthur A. Frost

    Northwestern University, United States

    1 publications · 63 citations

    1

    h-index

  5. MI
    Miroslav Iliaš

    Matej Bel University, Slovakia

    1 publications · 55 citations

    1

    h-index

1–5 of 14

Venues

  1. The Journal of Chemical Physics

    3 publications · 204 citations

    3

    h-index

  2. The Journal of Physical Chemistry A

    1 publications · 55 citations

    1

    h-index

  3. Journal of the American Chemical Society

    JACS · 1 publications · 91 citations

    1

    h-index

  4. The Journal of Physical Chemistry

    1 publications · 53 citations

    1

    h-index

1–4