Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Curt M Breneman, K. B. W. (1990). Determining atom-centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis.

Type

Unclassified

Intellectual base

Unclassified

Year

1990

DOI

10.1002/jcc.540110311

Link

https://doi.org/10.1002/jcc.540110311

Cited by

1 citation across 1 artifact.

Domain-specific

• CHELPG
  • CHELPG derives partial atomic charges by fitting point-charge electrostatic potentials to ab initio molecular electrostatic-potential values sampled on a surrounding grid.

Verification

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Registry ID ref:e847ea2cc197 · see in the full table