Essentials of Computational Chemistry

Cramer, C. J. (2004). Essentials of Computational Chemistry: Theories and Models. Wiley.

Type

Book

Intellectual base

Textbook

Year

2004

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Cited by

1 citation across 1 artifact.

Domain-specific

• CHELPG
  • … molecular geometry, a grid outside van der Waals radii supplies target potentials and the fitted charges reproduce them subject to total molecular charge. to A modeler reports geometry, quantum method and grid convention and treats buried-atom or conformational instability as uncertainty rather than chemical truth..

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